2-methyl-1-[(2-methylphenyl)methyl]benzimidazole

C16H16N2 — CID 2139165

IUPAC2-methyl-1-[(2-methylphenyl)methyl]benzimidazole
SMILESCc1ccccc1Cn1c(C)nc2ccccc21
InChIInChI=1S/C16H16N2/c1-12-7-3-4-8-14(12)11-18-13(2)17-15-9-5-6-10-16(15)18/h3-10H,11H2,1-2H3
InChIKeyYUAAKHMUHFDSQF-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.70
Rot. Bonds2

About 2-methyl-1-[(2-methylphenyl)methyl]benzimidazole

2-methyl-1-[(2-methylphenyl)methyl]benzimidazole (PubChem CID 2139165) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-methyl-1-[(2-methylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-methyl-1-[(2-methylphenyl)methyl]benzimidazole
PubChem CID2139165
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name2-methyl-1-[(2-methylphenyl)methyl]benzimidazole
SMILESCc1ccccc1Cn1c(C)nc2ccccc21
InChIInChI=1S/C16H16N2/c1-12-7-3-4-8-14(12)11-18-13(2)17-15-9-5-6-10-16(15)18/h3-10H,11H2,1-2H3
InChIKeyYUAAKHMUHFDSQF-UHFFFAOYSA-N
XLogP3.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-[(2-methylphenyl)methyl]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-[(2-methylphenyl)methyl]benzimidazole?
The IUPAC name of 2-methyl-1-[(2-methylphenyl)methyl]benzimidazole (CID 2139165) is 2-methyl-1-[(2-methylphenyl)methyl]benzimidazole.
What is the SMILES notation for 2-methyl-1-[(2-methylphenyl)methyl]benzimidazole?
The canonical SMILES for 2-methyl-1-[(2-methylphenyl)methyl]benzimidazole is Cc1ccccc1Cn1c(C)nc2ccccc21.
What is the InChIKey of 2-methyl-1-[(2-methylphenyl)methyl]benzimidazole?
The InChIKey is YUAAKHMUHFDSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-12-7-3-4-8-14(12)11-18-13(2)17-15-9-5-6-10-16(15)18/h3-10H,11H2,1-2H3.
What are the key properties of 2-methyl-1-[(2-methylphenyl)methyl]benzimidazole?
2-methyl-1-[(2-methylphenyl)methyl]benzimidazole has a molecular weight of 236.32 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-methylphenyl)methyl]benzimidazole is sourced from PubChem (CID 2139165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).