2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]acetonitrile

C15H12N4 — CID 55246838

IUPAC2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]acetonitrile
SMILESN#CCc1nc2ccccc2n1Cc1ccccn1
InChIInChI=1S/C15H12N4/c16-9-8-15-18-13-6-1-2-7-14(13)19(15)11-12-5-3-4-10-17-12/h1-7,10H,8,11H2
InChIKeyGQEVYTVYJTUWET-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.55
Rot. Bonds3

About 2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]acetonitrile

2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]acetonitrile (PubChem CID 55246838) has the molecular formula C15H12N4 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]acetonitrile
PubChem CID55246838
Molecular FormulaC15H12N4
Molecular Weight248.29 g/mol
Exact Mass248.11
IUPAC Name2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]acetonitrile
SMILESN#CCc1nc2ccccc2n1Cc1ccccn1
InChIInChI=1S/C15H12N4/c16-9-8-15-18-13-6-1-2-7-14(13)19(15)11-12-5-3-4-10-17-12/h1-7,10H,8,11H2
InChIKeyGQEVYTVYJTUWET-UHFFFAOYSA-N
XLogP2.55
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 63638416
2-[1-[(3,5-dichloro-4-hydroxyphenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 139624260
2-[1-[(3-amino-5-bromophenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 103350130
2-(1-but-2-ynylbenzimidazol-2-yl)acetonitrile
CID 63637903
2-[1-[[6-(methylamino)-3-pyridinyl]methyl]benzimidazol-2-yl]acetonitrile
CID 63640165
2-[1-[(2S)-2-hydroxypropyl]benzimidazol-2-yl]acetonitrile
CID 830151
2-[1-(4-bromobutyl)benzimidazol-2-yl]acetonitrile
CID 63638973
2-[1-(oxiran-2-ylmethyl)benzimidazol-2-yl]acetonitrile
CID 63639478
2-[1-(3-bromo-2,2-dimethylpropyl)benzimidazol-2-yl]acetonitrile
CID 64995436
2-[1-[(3-amino-4-bromophenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 115557365
2-[1-[(3-bromo-4-fluorophenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 63638084
2-[1-(2-hydroxybutyl)benzimidazol-2-yl]acetonitrile
CID 63638431

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]acetonitrile?
The IUPAC name of 2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]acetonitrile (CID 55246838) is 2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]acetonitrile?
The canonical SMILES for 2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]acetonitrile is N#CCc1nc2ccccc2n1Cc1ccccn1.
What is the InChIKey of 2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]acetonitrile?
The InChIKey is GQEVYTVYJTUWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4/c16-9-8-15-18-13-6-1-2-7-14(13)19(15)11-12-5-3-4-10-17-12/h1-7,10H,8,11H2.
What are the key properties of 2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]acetonitrile?
2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]acetonitrile has a molecular weight of 248.29 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]acetonitrile is sourced from PubChem (CID 55246838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).