1,6,7-trimethylbenzimidazole

C10H12N2 — CID 83449271

IUPAC1,6,7-trimethylbenzimidazole
SMILESCc1ccc2ncn(C)c2c1C
InChIInChI=1S/C10H12N2/c1-7-4-5-9-10(8(7)2)12(3)6-11-9/h4-6H,1-3H3
InChIKeyQQWCAKLNPMCTES-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.19
Rot. Bonds

About 1,6,7-trimethylbenzimidazole

1,6,7-trimethylbenzimidazole (PubChem CID 83449271) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1,6,7-trimethylbenzimidazole.

Molecular Properties

Compound Name1,6,7-trimethylbenzimidazole
PubChem CID83449271
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name1,6,7-trimethylbenzimidazole
SMILESCc1ccc2ncn(C)c2c1C
InChIInChI=1S/C10H12N2/c1-7-4-5-9-10(8(7)2)12(3)6-11-9/h4-6H,1-3H3
InChIKeyQQWCAKLNPMCTES-UHFFFAOYSA-N
XLogP2.19
TPSA17.82 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 ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,6,7-trimethylbenzimidazole 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 1,6,7-trimethylbenzimidazole?
The IUPAC name of 1,6,7-trimethylbenzimidazole (CID 83449271) is 1,6,7-trimethylbenzimidazole.
What is the SMILES notation for 1,6,7-trimethylbenzimidazole?
The canonical SMILES for 1,6,7-trimethylbenzimidazole is Cc1ccc2ncn(C)c2c1C.
What is the InChIKey of 1,6,7-trimethylbenzimidazole?
The InChIKey is QQWCAKLNPMCTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-7-4-5-9-10(8(7)2)12(3)6-11-9/h4-6H,1-3H3.
What are the key properties of 1,6,7-trimethylbenzimidazole?
1,6,7-trimethylbenzimidazole has a molecular weight of 160.22 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,7-trimethylbenzimidazole is sourced from PubChem (CID 83449271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).