4,5,7-trimethyl-2H-benzimidazole

C10H12N2 — CID 59646223

IUPAC4,5,7-trimethyl-2H-benzimidazole
SMILESCc1cc(C)c2c(c1C)=NCN=2
InChIInChI=1S/C10H12N2/c1-6-4-7(2)9-10(8(6)3)12-5-11-9/h4H,5H2,1-3H3
InChIKeyCGVPMZHWZLTGJI-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.82
Rot. Bonds

About 4,5,7-trimethyl-2H-benzimidazole

4,5,7-trimethyl-2H-benzimidazole (PubChem CID 59646223) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 4,5,7-trimethyl-2H-benzimidazole.

Molecular Properties

Compound Name4,5,7-trimethyl-2H-benzimidazole
PubChem CID59646223
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name4,5,7-trimethyl-2H-benzimidazole
SMILESCc1cc(C)c2c(c1C)=NCN=2
InChIInChI=1S/C10H12N2/c1-6-4-7(2)9-10(8(6)3)12-5-11-9/h4H,5H2,1-3H3
InChIKeyCGVPMZHWZLTGJI-UHFFFAOYSA-N
XLogP0.82
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,5,7-trimethyl-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 4,5,7-trimethyl-2H-benzimidazole?
The IUPAC name of 4,5,7-trimethyl-2H-benzimidazole (CID 59646223) is 4,5,7-trimethyl-2H-benzimidazole.
What is the SMILES notation for 4,5,7-trimethyl-2H-benzimidazole?
The canonical SMILES for 4,5,7-trimethyl-2H-benzimidazole is Cc1cc(C)c2c(c1C)=NCN=2.
What is the InChIKey of 4,5,7-trimethyl-2H-benzimidazole?
The InChIKey is CGVPMZHWZLTGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-6-4-7(2)9-10(8(6)3)12-5-11-9/h4H,5H2,1-3H3.
What are the key properties of 4,5,7-trimethyl-2H-benzimidazole?
4,5,7-trimethyl-2H-benzimidazole has a molecular weight of 160.22 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,7-trimethyl-2H-benzimidazole is sourced from PubChem (CID 59646223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).