2-(5-fluoro-2-pyridinyl)-1-methylbenzimidazole-4-carbonitrile

C14H9FN4 — CID 104720812

IUPAC2-(5-fluoro-2-pyridinyl)-1-methylbenzimidazole-4-carbonitrile
SMILESCn1c(-c2ccc(F)cn2)nc2c(C#N)cccc21
InChIInChI=1S/C14H9FN4/c1-19-12-4-2-3-9(7-16)13(12)18-14(19)11-6-5-10(15)8-17-11/h2-6,8H,1H3
InChIKeyMUXPEFKNCPTVFB-UHFFFAOYSA-N
MW252.25 g/mol
LogP2.65
Rot. Bonds1

About 2-(5-fluoro-2-pyridinyl)-1-methylbenzimidazole-4-carbonitrile

2-(5-fluoro-2-pyridinyl)-1-methylbenzimidazole-4-carbonitrile (PubChem CID 104720812) has the molecular formula C14H9FN4 and a molecular weight of 252.25 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-1-methylbenzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-1-methylbenzimidazole-4-carbonitrile
PubChem CID104720812
Molecular FormulaC14H9FN4
Molecular Weight252.25 g/mol
Exact Mass252.08
IUPAC Name2-(5-fluoro-2-pyridinyl)-1-methylbenzimidazole-4-carbonitrile
SMILESCn1c(-c2ccc(F)cn2)nc2c(C#N)cccc21
InChIInChI=1S/C14H9FN4/c1-19-12-4-2-3-9(7-16)13(12)18-14(19)11-6-5-10(15)8-17-11/h2-6,8H,1H3
InChIKeyMUXPEFKNCPTVFB-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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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-1-methylbenzimidazole-4-carbonitrile?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-1-methylbenzimidazole-4-carbonitrile (CID 104720812) is 2-(5-fluoro-2-pyridinyl)-1-methylbenzimidazole-4-carbonitrile.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-1-methylbenzimidazole-4-carbonitrile?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-1-methylbenzimidazole-4-carbonitrile is Cn1c(-c2ccc(F)cn2)nc2c(C#N)cccc21.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-1-methylbenzimidazole-4-carbonitrile?
The InChIKey is MUXPEFKNCPTVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4/c1-19-12-4-2-3-9(7-16)13(12)18-14(19)11-6-5-10(15)8-17-11/h2-6,8H,1H3.
What are the key properties of 2-(5-fluoro-2-pyridinyl)-1-methylbenzimidazole-4-carbonitrile?
2-(5-fluoro-2-pyridinyl)-1-methylbenzimidazole-4-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)-1-methylbenzimidazole-4-carbonitrile is sourced from PubChem (CID 104720812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).