Cas no 554457-93-1 ([5-(Aminomethyl)-1-isopentyl-benzimidazol-2-yl]methanol)

[5-(Aminomethyl)-1-isopentyl-benzimidazol-2-yl]methanol structure
554457-93-1 structure
Product Name:[5-(Aminomethyl)-1-isopentyl-benzimidazol-2-yl]methanol
CAS No:554457-93-1
MF:C14H21N3O
MW:247.336043119431
CID:2138126
Update Time:2023-08-04

[5-(Aminomethyl)-1-isopentyl-benzimidazol-2-yl]methanol Chemical and Physical Properties

Names and Identifiers

    • [5-(aminomethyl)-1-isopentyl-benzimidazol-2-yl]methanol
    • WVQXODMPBRPOIB-UHFFFAOYSA-N
    • [5-aminomethyl-1-(3-methyl-butyl)-1H-benzoimidazol-2-yl]-methanol
    • [5-(Aminomethyl)-1-isopentyl-benzimidazol-2-yl]methanol
    • Inchi: 1S/C14H21N3O/c1-10(2)5-6-17-13-4-3-11(8-15)7-12(13)16-14(17)9-18/h3-4,7,10,18H,5-6,8-9,15H2,1-2H3
    • InChI Key: WVQXODMPBRPOIB-UHFFFAOYSA-N
    • SMILES: OCC1=NC2C=C(CN)C=CC=2N1CCC(C)C

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 259
  • Topological Polar Surface Area: 64.099
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