2-(6-methyl-2-pyridinyl)-1H-benzimidazole-4-carbonitrile

C14H10N4 — CID 104720600

IUPAC2-(6-methyl-2-pyridinyl)-1H-benzimidazole-4-carbonitrile
SMILESCc1cccc(-c2nc3c(C#N)cccc3[nH]2)n1
InChIInChI=1S/C14H10N4/c1-9-4-2-7-12(16-9)14-17-11-6-3-5-10(8-15)13(11)18-14/h2-7H,1H3,(H,17,18)
InChIKeyKPNSDEDQOWTDCK-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.81
Rot. Bonds1

About 2-(6-methyl-2-pyridinyl)-1H-benzimidazole-4-carbonitrile

2-(6-methyl-2-pyridinyl)-1H-benzimidazole-4-carbonitrile (PubChem CID 104720600) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-(6-methyl-2-pyridinyl)-1H-benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-(6-methyl-2-pyridinyl)-1H-benzimidazole-4-carbonitrile
PubChem CID104720600
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name2-(6-methyl-2-pyridinyl)-1H-benzimidazole-4-carbonitrile
SMILESCc1cccc(-c2nc3c(C#N)cccc3[nH]2)n1
InChIInChI=1S/C14H10N4/c1-9-4-2-7-12(16-9)14-17-11-6-3-5-10(8-15)13(11)18-14/h2-7H,1H3,(H,17,18)
InChIKeyKPNSDEDQOWTDCK-UHFFFAOYSA-N
XLogP2.81
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-pyridinyl)-1H-benzimidazole-4-carbonitrile?
The IUPAC name of 2-(6-methyl-2-pyridinyl)-1H-benzimidazole-4-carbonitrile (CID 104720600) is 2-(6-methyl-2-pyridinyl)-1H-benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-(6-methyl-2-pyridinyl)-1H-benzimidazole-4-carbonitrile?
The canonical SMILES for 2-(6-methyl-2-pyridinyl)-1H-benzimidazole-4-carbonitrile is Cc1cccc(-c2nc3c(C#N)cccc3[nH]2)n1.
What is the InChIKey of 2-(6-methyl-2-pyridinyl)-1H-benzimidazole-4-carbonitrile?
The InChIKey is KPNSDEDQOWTDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c1-9-4-2-7-12(16-9)14-17-11-6-3-5-10(8-15)13(11)18-14/h2-7H,1H3,(H,17,18).
What are the key properties of 2-(6-methyl-2-pyridinyl)-1H-benzimidazole-4-carbonitrile?
2-(6-methyl-2-pyridinyl)-1H-benzimidazole-4-carbonitrile has a molecular weight of 234.26 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-pyridinyl)-1H-benzimidazole-4-carbonitrile is sourced from PubChem (CID 104720600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).