2-amino-3-[(3-methyl-2-pyridinyl)methyl]benzimidazole-5-carbonitrile

C15H13N5 — CID 104715041

IUPAC2-amino-3-[(3-methyl-2-pyridinyl)methyl]benzimidazole-5-carbonitrile
SMILESCc1cccnc1Cn1c(N)nc2ccc(C#N)cc21
InChIInChI=1S/C15H13N5/c1-10-3-2-6-18-13(10)9-20-14-7-11(8-16)4-5-12(14)19-15(20)17/h2-7H,9H2,1H3,(H2,17,19)
InChIKeyLGRHSBFQYNQRGQ-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.24
Rot. Bonds2

About 2-amino-3-[(3-methyl-2-pyridinyl)methyl]benzimidazole-5-carbonitrile

2-amino-3-[(3-methyl-2-pyridinyl)methyl]benzimidazole-5-carbonitrile (PubChem CID 104715041) has the molecular formula C15H13N5 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-amino-3-[(3-methyl-2-pyridinyl)methyl]benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-amino-3-[(3-methyl-2-pyridinyl)methyl]benzimidazole-5-carbonitrile
PubChem CID104715041
Molecular FormulaC15H13N5
Molecular Weight263.30 g/mol
Exact Mass263.12
IUPAC Name2-amino-3-[(3-methyl-2-pyridinyl)methyl]benzimidazole-5-carbonitrile
SMILESCc1cccnc1Cn1c(N)nc2ccc(C#N)cc21
InChIInChI=1S/C15H13N5/c1-10-3-2-6-18-13(10)9-20-14-7-11(8-16)4-5-12(14)19-15(20)17/h2-7H,9H2,1H3,(H2,17,19)
InChIKeyLGRHSBFQYNQRGQ-UHFFFAOYSA-N
XLogP2.24
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.24
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-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
2-amino-3-[(3,4-difluorophenyl)methyl]benzimidazole-5-carbonitrile
CID 104714940
4-[(2-amino-5,6-dimethylbenzimidazol-1-yl)methyl]benzonitrile
CID 82359067
2-amino-3-(3-methylbutyl)benzimidazole-5-carbonitrile
CID 104714701
2-amino-3-(2-pyridin-3-ylethyl)benzimidazole-5-carbonitrile
CID 104714857
methyl 3-(2-amino-6-cyanobenzimidazol-1-yl)propanoate
CID 104714869
2-amino-3-(5-methylhexyl)benzimidazole-5-carbonitrile
CID 104715156
2-amino-3-(2-ethoxypropyl)benzimidazole-5-carbonitrile
CID 113477805
6-bromo-2-(chloromethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole
CID 65346157
2-methyl-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole
CID 112651453

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(3-methyl-2-pyridinyl)methyl]benzimidazole-5-carbonitrile?
The IUPAC name of 2-amino-3-[(3-methyl-2-pyridinyl)methyl]benzimidazole-5-carbonitrile (CID 104715041) is 2-amino-3-[(3-methyl-2-pyridinyl)methyl]benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-amino-3-[(3-methyl-2-pyridinyl)methyl]benzimidazole-5-carbonitrile?
The canonical SMILES for 2-amino-3-[(3-methyl-2-pyridinyl)methyl]benzimidazole-5-carbonitrile is Cc1cccnc1Cn1c(N)nc2ccc(C#N)cc21.
What is the InChIKey of 2-amino-3-[(3-methyl-2-pyridinyl)methyl]benzimidazole-5-carbonitrile?
The InChIKey is LGRHSBFQYNQRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5/c1-10-3-2-6-18-13(10)9-20-14-7-11(8-16)4-5-12(14)19-15(20)17/h2-7H,9H2,1H3,(H2,17,19).
What are the key properties of 2-amino-3-[(3-methyl-2-pyridinyl)methyl]benzimidazole-5-carbonitrile?
2-amino-3-[(3-methyl-2-pyridinyl)methyl]benzimidazole-5-carbonitrile has a molecular weight of 263.30 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(3-methyl-2-pyridinyl)methyl]benzimidazole-5-carbonitrile is sourced from PubChem (CID 104715041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).