1H-Benzimidazole-2-acetonitrile

C9H7N3 — CID 20455

About 1H-Benzimidazole-2-acetonitrile

1H-Benzimidazole-2-acetonitrile (PubChem CID 20455) has the molecular formula C9H7N3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)acetonitrile.

Molecular Properties

Compound Name1H-Benzimidazole-2-acetonitrile
PubChem CID20455
Molecular FormulaC9H7N3
Molecular Weight157.17 g/mol
Exact Mass157.06
IUPAC Name2-(1H-benzimidazol-2-yl)acetonitrile
SMILESC1=CC=C2C(=C1)NC(=N2)CC#N
InChIKeyBWOVACANEIVHST-UHFFFAOYSA-N
XLogP1.40
TPSA52.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity205

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Bendazol
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Procodazole
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CID 23539