Cas no 26785-89-7 (Methyl 4,5,6,7-tetrahydro-1H-benzo[d]imidazole-6-carboxylate)

Methyl 4,5,6,7-tetrahydro-1H-benzo[d]imidazole-6-carboxylate structure
26785-89-7 structure
Product Name:Methyl 4,5,6,7-tetrahydro-1H-benzo[d]imidazole-6-carboxylate
CAS No:26785-89-7
MF:C9H12N2O2
MW:180.203782081604
CID:1084161
PubChem ID:14856793
Update Time:2025-09-22

Methyl 4,5,6,7-tetrahydro-1H-benzo[d]imidazole-6-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4,5,6,7-tetrahydro-1H-benzo[d]imidazole-6-carboxylate
    • Methyl 4,5,6,7-tetrahydro-1H-benzimidazole-5-carboxylate
    • D75447
    • MFCD20662345
    • DB-096308
    • 4,5,6,7-tetrahydro-1 H-benzimidazole-5-carboxylic acid methyl ester
    • Methyl 4,5,6,7-tetrahydro-1H-1,3-benzodiazole-5-carboxylate
    • EN300-755280
    • SCHEMBL8542781
    • methyl 4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylate
    • 4,5,6,7-tetrahydro-1H-benzimidazole-5-carboxylic acid methyl ester
    • Methyl4,5,6,7-tetrahydro-1H-benzo[d]imidazole-6-carboxylate
    • BBA78589
    • CS-0093742
    • 26785-89-7
    • MJLAMGHGLJXZLT-UHFFFAOYSA-N
    • SCHEMBL1417641
    • Inchi： 1S/C9H12N2O2/c1-13-9(12)6-2-3-7-8(4-6)11-5-10-7/h5-6H,2-4H2,1H3,(H,10,11)
    • InChI Key： MJLAMGHGLJXZLT-UHFFFAOYSA-N
    • SMILES： O(C)C(C1CC2=C(CC1)N=CN2)=O

Computed Properties

  • Exact Mass: 180.08996
  • Monoisotopic Mass: 180.089877630g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 208
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.6
  • Topological Polar Surface Area: 55?2

Experimental Properties

  • PSA: 54.98

Methyl 4,5,6,7-tetrahydro-1H-benzo[d]imidazole-6-carboxylate Pricemore >>

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Enamine
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methyl 4,5,6,7-tetrahydro-1H-1,3-benzodiazole-5-carboxylate
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Enamine
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Enamine
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