2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-4-carbonitrile

C14H11N5 — CID 116857931

IUPAC2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-4-carbonitrile
SMILESCc1nc(C#N)cc(-c2ccc3nc(C)[nH]c3c2)n1
InChIInChI=1S/C14H11N5/c1-8-16-11(7-15)6-13(18-8)10-3-4-12-14(5-10)19-9(2)17-12/h3-6H,1-2H3,(H,17,19)
InChIKeyZEOKZDBEEHIMOI-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.51
Rot. Bonds1

About 2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-4-carbonitrile

2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-4-carbonitrile (PubChem CID 116857931) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is 2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-4-carbonitrile
PubChem CID116857931
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC Name2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-4-carbonitrile
SMILESCc1nc(C#N)cc(-c2ccc3nc(C)[nH]c3c2)n1
InChIInChI=1S/C14H11N5/c1-8-16-11(7-15)6-13(18-8)10-3-4-12-14(5-10)19-9(2)17-12/h3-6H,1-2H3,(H,17,19)
InChIKeyZEOKZDBEEHIMOI-UHFFFAOYSA-N
XLogP2.51
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-4-carbonitrile?
The IUPAC name of 2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-4-carbonitrile (CID 116857931) is 2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-4-carbonitrile is Cc1nc(C#N)cc(-c2ccc3nc(C)[nH]c3c2)n1.
What is the InChIKey of 2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-4-carbonitrile?
The InChIKey is ZEOKZDBEEHIMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5/c1-8-16-11(7-15)6-13(18-8)10-3-4-12-14(5-10)19-9(2)17-12/h3-6H,1-2H3,(H,17,19).
What are the key properties of 2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-4-carbonitrile?
2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-4-carbonitrile has a molecular weight of 249.28 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-4-carbonitrile is sourced from PubChem (CID 116857931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).