1,2,4,7-tetramethylbenzimidazole

C11H14N2 — CID 83449582

IUPAC1,2,4,7-tetramethylbenzimidazole
SMILESCc1ccc(C)c2c1nc(C)n2C
InChIInChI=1S/C11H14N2/c1-7-5-6-8(2)11-10(7)12-9(3)13(11)4/h5-6H,1-4H3
InChIKeySOPYOPXLSLAPNI-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.50
Rot. Bonds

About 1,2,4,7-tetramethylbenzimidazole

1,2,4,7-tetramethylbenzimidazole (PubChem CID 83449582) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 1,2,4,7-tetramethylbenzimidazole.

Molecular Properties

Compound Name1,2,4,7-tetramethylbenzimidazole
PubChem CID83449582
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name1,2,4,7-tetramethylbenzimidazole
SMILESCc1ccc(C)c2c1nc(C)n2C
InChIInChI=1S/C11H14N2/c1-7-5-6-8(2)11-10(7)12-9(3)13(11)4/h5-6H,1-4H3
InChIKeySOPYOPXLSLAPNI-UHFFFAOYSA-N
XLogP2.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2,4,7-tetramethylbenzimidazole 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 1,2,4,7-tetramethylbenzimidazole?
The IUPAC name of 1,2,4,7-tetramethylbenzimidazole (CID 83449582) is 1,2,4,7-tetramethylbenzimidazole.
What is the SMILES notation for 1,2,4,7-tetramethylbenzimidazole?
The canonical SMILES for 1,2,4,7-tetramethylbenzimidazole is Cc1ccc(C)c2c1nc(C)n2C.
What is the InChIKey of 1,2,4,7-tetramethylbenzimidazole?
The InChIKey is SOPYOPXLSLAPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-7-5-6-8(2)11-10(7)12-9(3)13(11)4/h5-6H,1-4H3.
What are the key properties of 1,2,4,7-tetramethylbenzimidazole?
1,2,4,7-tetramethylbenzimidazole has a molecular weight of 174.25 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,7-tetramethylbenzimidazole is sourced from PubChem (CID 83449582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).