2-amino-3-(2-pyridin-3-ylethyl)benzimidazole-5-carbonitrile

C15H13N5 — CID 104714857

IUPAC2-amino-3-(2-pyridin-3-ylethyl)benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(N)n(CCc3cccnc3)c2c1
InChIInChI=1S/C15H13N5/c16-9-12-3-4-13-14(8-12)20(15(17)19-13)7-5-11-2-1-6-18-10-11/h1-4,6,8,10H,5,7H2,(H2,17,19)
InChIKeyHCLIICRQOCMEST-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.13
Rot. Bonds3

About 2-amino-3-(2-pyridin-3-ylethyl)benzimidazole-5-carbonitrile

2-amino-3-(2-pyridin-3-ylethyl)benzimidazole-5-carbonitrile (PubChem CID 104714857) has the molecular formula C15H13N5 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-amino-3-(2-pyridin-3-ylethyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-amino-3-(2-pyridin-3-ylethyl)benzimidazole-5-carbonitrile
PubChem CID104714857
Molecular FormulaC15H13N5
Molecular Weight263.30 g/mol
Exact Mass263.12
IUPAC Name2-amino-3-(2-pyridin-3-ylethyl)benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(N)n(CCc3cccnc3)c2c1
InChIInChI=1S/C15H13N5/c16-9-12-3-4-13-14(8-12)20(15(17)19-13)7-5-11-2-1-6-18-10-11/h1-4,6,8,10H,5,7H2,(H2,17,19)
InChIKeyHCLIICRQOCMEST-UHFFFAOYSA-N
XLogP2.13
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-[2-(2-methylphenyl)ethyl]benzimidazole-5-carbonitrile
CID 104715124
2-(1-chloroethyl)-3-(pyridin-3-ylmethyl)benzimidazole-5-carbonitrile
CID 104715308
2-amino-3-(3-methylbutyl)benzimidazole-5-carbonitrile
CID 104714701
2-amino-3-(5-methylhexyl)benzimidazole-5-carbonitrile
CID 104715156
6,7-difluoro-1-(2-pyridin-3-ylethyl)benzimidazol-2-amine
CID 62532411
methyl 3-(2-amino-6-cyanobenzimidazol-1-yl)propanoate
CID 104714869
2-amino-3-[(3-methyl-2-pyridinyl)methyl]benzimidazole-5-carbonitrile
CID 104715041
6-bromo-1-(pyridin-3-ylmethyl)benzimidazol-2-amine
CID 65347065
2-amino-3-[(3,4-difluorophenyl)methyl]benzimidazole-5-carbonitrile
CID 104714940
2-amino-3-(3-cyclopentylpropyl)benzimidazole-5-carbonitrile
CID 106008067
2-amino-3-(1,3-thiazol-2-ylmethyl)benzimidazole-5-carbonitrile
CID 104714921
2-amino-3-[(1,5-dimethylpyrazol-4-yl)methyl]benzimidazole-5-carbonitrile
CID 106035643

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-pyridin-3-ylethyl)benzimidazole-5-carbonitrile?
The IUPAC name of 2-amino-3-(2-pyridin-3-ylethyl)benzimidazole-5-carbonitrile (CID 104714857) is 2-amino-3-(2-pyridin-3-ylethyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-amino-3-(2-pyridin-3-ylethyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 2-amino-3-(2-pyridin-3-ylethyl)benzimidazole-5-carbonitrile is N#Cc1ccc2nc(N)n(CCc3cccnc3)c2c1.
What is the InChIKey of 2-amino-3-(2-pyridin-3-ylethyl)benzimidazole-5-carbonitrile?
The InChIKey is HCLIICRQOCMEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5/c16-9-12-3-4-13-14(8-12)20(15(17)19-13)7-5-11-2-1-6-18-10-11/h1-4,6,8,10H,5,7H2,(H2,17,19).
What are the key properties of 2-amino-3-(2-pyridin-3-ylethyl)benzimidazole-5-carbonitrile?
2-amino-3-(2-pyridin-3-ylethyl)benzimidazole-5-carbonitrile has a molecular weight of 263.30 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-pyridin-3-ylethyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 104714857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).