Cas no 114798-27-5 ([1,1'-Biphenyl]-2-carboxylicacid, 4'-[[2-butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl]-)

[1,1'-Biphenyl]-2-carboxylicacid, 4'-[[2-butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl]- structure
114798-27-5 structure
Product Name:[1,1'-Biphenyl]-2-carboxylicacid, 4'-[[2-butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl]-
CAS No:114798-27-5
MF:C22H23ClN2O3
MW:398.882624864578
CID:157617
PubChem ID:130762
Update Time:2025-04-19

[1,1'-Biphenyl]-2-carboxylicacid, 4'-[[2-butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl]- Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-2-carboxylicacid, 4'-[[2-butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl]-
    • 2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid
    • 2-butyl-1-< (2'-carboxybiphenyl-4-yl)methyl> -4-chloro-5-(hydroxymethyl)imidazole
    • 2-Butyl-4-chloro-1-[(2'-carboxybiphenyl-4-yl)-methyl]-5-(hydroxymethyl)imidazole
    • AC1L2XYV
    • CHEMBL274447
    • CTK0H6905
    • Exp7711
    • SureCN89
    • DTXSID60150853
    • UUPNFNCKGJOLQE-UHFFFAOYSA-N
    • EXP-7711
    • 4'-Imi
    • BDBM50003399
    • (1,1'-Biphenyl)-2-carboxylic acid, 4'-((2-butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl)methyl)-
    • 4'-((2-Butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl)methyl)-(1,1'-biphenyl)-2-carboxylic acid
    • SCHEMBL89
    • 4''-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-ylmethyl)-biphenyl-2-carboxylic acid;H2O
    • 4-Chloro-5-hydroxymethyl-3-imidazol-1-ylmethyl-biphenyl-2-carboxylic acid butyl ester
    • 4''-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-ylmethyl)-biphenyl-2-carboxylic acid
    • SC 48742
    • 114798-27-5
    • {2-Butyl-5-chloro-3-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-imidazol-4-yl}-methanol (EXP7711 (IMI))
    • i4''-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-ylmethyl)-biphenyl-2-carboxylic acid
    • 2-butyl-1-[(2'-carboxybiphenyl-4-yl)methyl]-4-chloro-5-hydroxymethylimidazole
    • L001953
    • Exp 7711
    • Inchi： 1S/C22H23ClN2O3/c1-2-3-8-20-24-21(23)19(14-26)25(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22(27)28/h4-7,9-12,26H,2-3,8,13-14H2,1H3,(H,27,28)
    • InChI Key： UUPNFNCKGJOLQE-UHFFFAOYSA-N
    • SMILES： ClC1=C(CO)N(CC2C=CC(C3C=CC=CC=3C(=O)O)=CC=2)C(CCCC)=N1

Computed Properties

  • Exact Mass: 398.13989
  • Monoisotopic Mass: 398.1397203g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 8
  • Complexity: 498
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.6
  • Topological Polar Surface Area: 75.4?2

Experimental Properties

  • PSA: 75.35

[1,1'-Biphenyl]-2-carboxylicacid, 4'-[[2-butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl]- Related Literature

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