2-methyl-1-(4-methylpyrimidin-2-yl)benzimidazole

C13H12N4 — CID 79754202

IUPAC2-methyl-1-(4-methylpyrimidin-2-yl)benzimidazole
SMILESCc1ccnc(-n2c(C)nc3ccccc32)n1
InChIInChI=1S/C13H12N4/c1-9-7-8-14-13(15-9)17-10(2)16-11-5-3-4-6-12(11)17/h3-8H,1-2H3
InChIKeyYOVUOZDFMSRBHP-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.43
Rot. Bonds1

About 2-methyl-1-(4-methylpyrimidin-2-yl)benzimidazole

2-methyl-1-(4-methylpyrimidin-2-yl)benzimidazole (PubChem CID 79754202) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-methyl-1-(4-methylpyrimidin-2-yl)benzimidazole.

Molecular Properties

Compound Name2-methyl-1-(4-methylpyrimidin-2-yl)benzimidazole
PubChem CID79754202
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name2-methyl-1-(4-methylpyrimidin-2-yl)benzimidazole
SMILESCc1ccnc(-n2c(C)nc3ccccc32)n1
InChIInChI=1S/C13H12N4/c1-9-7-8-14-13(15-9)17-10(2)16-11-5-3-4-6-12(11)17/h3-8H,1-2H3
InChIKeyYOVUOZDFMSRBHP-UHFFFAOYSA-N
XLogP2.43
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-(4-methylpyrimidin-2-yl)benzimidazole 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-1-(4-methylpyrimidin-2-yl)benzimidazole?
The IUPAC name of 2-methyl-1-(4-methylpyrimidin-2-yl)benzimidazole (CID 79754202) is 2-methyl-1-(4-methylpyrimidin-2-yl)benzimidazole.
What is the SMILES notation for 2-methyl-1-(4-methylpyrimidin-2-yl)benzimidazole?
The canonical SMILES for 2-methyl-1-(4-methylpyrimidin-2-yl)benzimidazole is Cc1ccnc(-n2c(C)nc3ccccc32)n1.
What is the InChIKey of 2-methyl-1-(4-methylpyrimidin-2-yl)benzimidazole?
The InChIKey is YOVUOZDFMSRBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-9-7-8-14-13(15-9)17-10(2)16-11-5-3-4-6-12(11)17/h3-8H,1-2H3.
What are the key properties of 2-methyl-1-(4-methylpyrimidin-2-yl)benzimidazole?
2-methyl-1-(4-methylpyrimidin-2-yl)benzimidazole has a molecular weight of 224.27 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylpyrimidin-2-yl)benzimidazole is sourced from PubChem (CID 79754202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).