2-(4-chloroanilino)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile

C20H13ClFN5 — CID 118095146

IUPAC2-(4-chloroanilino)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile
SMILESCc1nc2ccc(F)cc2n1-c1cc(C#N)cc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H13ClFN5/c1-12-24-17-7-4-15(22)10-18(17)27(12)20-9-13(11-23)8-19(26-20)25-16-5-2-14(21)3-6-16/h2-10H,1H3,(H,25,26)
InChIKeyMBEMOUOMACCJLY-UHFFFAOYSA-N
MW377.81 g/mol
LogP5.14
Rot. Bonds3

About 2-(4-chloroanilino)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile

2-(4-chloroanilino)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile (PubChem CID 118095146) has the molecular formula C20H13ClFN5 and a molecular weight of 377.81 g/mol. Its IUPAC name is 2-(4-chloroanilino)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-chloroanilino)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile
PubChem CID118095146
Molecular FormulaC20H13ClFN5
Molecular Weight377.81 g/mol
Exact Mass377.08
IUPAC Name2-(4-chloroanilino)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile
SMILESCc1nc2ccc(F)cc2n1-c1cc(C#N)cc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H13ClFN5/c1-12-24-17-7-4-15(22)10-18(17)27(12)20-9-13(11-23)8-19(26-20)25-16-5-2-14(21)3-6-16/h2-10H,1H3,(H,25,26)
InChIKeyMBEMOUOMACCJLY-UHFFFAOYSA-N
XLogP5.14
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.81
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile?
The IUPAC name of 2-(4-chloroanilino)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile (CID 118095146) is 2-(4-chloroanilino)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(4-chloroanilino)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(4-chloroanilino)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile is Cc1nc2ccc(F)cc2n1-c1cc(C#N)cc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chloroanilino)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile?
The InChIKey is MBEMOUOMACCJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN5/c1-12-24-17-7-4-15(22)10-18(17)27(12)20-9-13(11-23)8-19(26-20)25-16-5-2-14(21)3-6-16/h2-10H,1H3,(H,25,26).
What are the key properties of 2-(4-chloroanilino)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile?
2-(4-chloroanilino)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile has a molecular weight of 377.81 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 118095146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).