2-(5-fluoro-2-pyridinyl)-3-methylbenzimidazole-5-carbonitrile

C14H9FN4 — CID 104712447

IUPAC2-(5-fluoro-2-pyridinyl)-3-methylbenzimidazole-5-carbonitrile
SMILESCn1c(-c2ccc(F)cn2)nc2ccc(C#N)cc21
InChIInChI=1S/C14H9FN4/c1-19-13-6-9(7-16)2-4-11(13)18-14(19)12-5-3-10(15)8-17-12/h2-6,8H,1H3
InChIKeyZBUUDAZSHSUHPE-UHFFFAOYSA-N
MW252.25 g/mol
LogP2.65
Rot. Bonds1

About 2-(5-fluoro-2-pyridinyl)-3-methylbenzimidazole-5-carbonitrile

2-(5-fluoro-2-pyridinyl)-3-methylbenzimidazole-5-carbonitrile (PubChem CID 104712447) has the molecular formula C14H9FN4 and a molecular weight of 252.25 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-3-methylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-3-methylbenzimidazole-5-carbonitrile
PubChem CID104712447
Molecular FormulaC14H9FN4
Molecular Weight252.25 g/mol
Exact Mass252.08
IUPAC Name2-(5-fluoro-2-pyridinyl)-3-methylbenzimidazole-5-carbonitrile
SMILESCn1c(-c2ccc(F)cn2)nc2ccc(C#N)cc21
InChIInChI=1S/C14H9FN4/c1-19-13-6-9(7-16)2-4-11(13)18-14(19)12-5-3-10(15)8-17-12/h2-6,8H,1H3
InChIKeyZBUUDAZSHSUHPE-UHFFFAOYSA-N
XLogP2.65
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712543
2-(5-fluoro-3-pyridinyl)-3-methylbenzimidazole-5-carbonitrile
CID 104786693
2-(5-fluoro-2-pyridinyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720812
3-methyl-2-(2-methyl-3-pyridinyl)benzimidazole-5-carbonitrile
CID 104712271
2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile
CID 118938390
2-(5-bromo-3-pyridinyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712509
3-methyl-2-(trifluoromethyl)benzimidazole-5-carbonitrile
CID 68973116
N-[2-(5-fluoro-2-pyridinyl)-3-methylbenzimidazol-5-yl]benzamide
CID 169245076
3-methyl-2-(2-methylpyrazol-3-yl)benzimidazole-5-carbonitrile
CID 113444313
2-(2,5-dimethylpyrazol-3-yl)-3-methylbenzimidazole-5-carbonitrile
CID 104712352
2-(furan-2-yl)-3-methylbenzimidazole-5-carbonitrile
CID 113444314
2-(2-chloro-3-methylphenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712311

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-3-methylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-3-methylbenzimidazole-5-carbonitrile (CID 104712447) is 2-(5-fluoro-2-pyridinyl)-3-methylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-3-methylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-3-methylbenzimidazole-5-carbonitrile is Cn1c(-c2ccc(F)cn2)nc2ccc(C#N)cc21.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-3-methylbenzimidazole-5-carbonitrile?
The InChIKey is ZBUUDAZSHSUHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4/c1-19-13-6-9(7-16)2-4-11(13)18-14(19)12-5-3-10(15)8-17-12/h2-6,8H,1H3.
What are the key properties of 2-(5-fluoro-2-pyridinyl)-3-methylbenzimidazole-5-carbonitrile?
2-(5-fluoro-2-pyridinyl)-3-methylbenzimidazole-5-carbonitrile has a molecular weight of 252.25 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-3-methylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 104712447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).