4-(benzimidazol-1-ylmethyl)benzonitrile

C15H11N3 — CID 863558

IUPAC4-(benzimidazol-1-ylmethyl)benzonitrile
SMILESN#Cc1ccc(Cn2cnc3ccccc32)cc1
InChIInChI=1S/C15H11N3/c16-9-12-5-7-13(8-6-12)10-18-11-17-14-3-1-2-4-15(14)18/h1-8,11H,10H2
InChIKeyKZMYEQMVROHICO-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.96
Rot. Bonds2

About 4-(benzimidazol-1-ylmethyl)benzonitrile

4-(benzimidazol-1-ylmethyl)benzonitrile (PubChem CID 863558) has the molecular formula C15H11N3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-(benzimidazol-1-ylmethyl)benzonitrile.

Molecular Properties

Compound Name4-(benzimidazol-1-ylmethyl)benzonitrile
PubChem CID863558
Molecular FormulaC15H11N3
Molecular Weight233.27 g/mol
Exact Mass233.10
IUPAC Name4-(benzimidazol-1-ylmethyl)benzonitrile
SMILESN#Cc1ccc(Cn2cnc3ccccc32)cc1
InChIInChI=1S/C15H11N3/c16-9-12-5-7-13(8-6-12)10-18-11-17-14-3-1-2-4-15(14)18/h1-8,11H,10H2
InChIKeyKZMYEQMVROHICO-UHFFFAOYSA-N
XLogP2.96
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-ylmethyl)benzonitrile?
The IUPAC name of 4-(benzimidazol-1-ylmethyl)benzonitrile (CID 863558) is 4-(benzimidazol-1-ylmethyl)benzonitrile.
What is the SMILES notation for 4-(benzimidazol-1-ylmethyl)benzonitrile?
The canonical SMILES for 4-(benzimidazol-1-ylmethyl)benzonitrile is N#Cc1ccc(Cn2cnc3ccccc32)cc1.
What is the InChIKey of 4-(benzimidazol-1-ylmethyl)benzonitrile?
The InChIKey is KZMYEQMVROHICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3/c16-9-12-5-7-13(8-6-12)10-18-11-17-14-3-1-2-4-15(14)18/h1-8,11H,10H2.
What are the key properties of 4-(benzimidazol-1-ylmethyl)benzonitrile?
4-(benzimidazol-1-ylmethyl)benzonitrile has a molecular weight of 233.27 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-ylmethyl)benzonitrile is sourced from PubChem (CID 863558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).