5-methyl-2H-benzimidazole

C8H8N2 — CID 22891152

IUPAC5-methyl-2H-benzimidazole
SMILESCc1ccc2c(c1)=NCN=2
InChIInChI=1S/C8H8N2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-4H,5H2,1H3
InChIKeyFBGAPFGGSNMIEI-UHFFFAOYSA-N
MW132.17 g/mol
LogP0.21
Rot. Bonds

About 5-methyl-2H-benzimidazole

5-methyl-2H-benzimidazole (PubChem CID 22891152) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 5-methyl-2H-benzimidazole.

Molecular Properties

Compound Name5-methyl-2H-benzimidazole
PubChem CID22891152
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name5-methyl-2H-benzimidazole
SMILESCc1ccc2c(c1)=NCN=2
InChIInChI=1S/C8H8N2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-4H,5H2,1H3
InChIKeyFBGAPFGGSNMIEI-UHFFFAOYSA-N
XLogP0.21
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methyl-2H-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 5-methyl-2H-benzimidazole?
The IUPAC name of 5-methyl-2H-benzimidazole (CID 22891152) is 5-methyl-2H-benzimidazole.
What is the SMILES notation for 5-methyl-2H-benzimidazole?
The canonical SMILES for 5-methyl-2H-benzimidazole is Cc1ccc2c(c1)=NCN=2.
What is the InChIKey of 5-methyl-2H-benzimidazole?
The InChIKey is FBGAPFGGSNMIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-4H,5H2,1H3.
What are the key properties of 5-methyl-2H-benzimidazole?
5-methyl-2H-benzimidazole has a molecular weight of 132.17 g/mol, XLogP of 0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2H-benzimidazole is sourced from PubChem (CID 22891152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).