2-butyl-2,5-dimethylbenzimidazole

C13H18N2 — CID 71153181

IUPAC2-butyl-2,5-dimethylbenzimidazole
SMILESCCCCC1(C)N=c2ccc(C)cc2=N1
InChIInChI=1S/C13H18N2/c1-4-5-8-13(3)14-11-7-6-10(2)9-12(11)15-13/h6-7,9H,4-5,8H2,1-3H3
InChIKeyXJYFGWULKQCVAN-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.15
Rot. Bonds3

About 2-butyl-2,5-dimethylbenzimidazole

2-butyl-2,5-dimethylbenzimidazole (PubChem CID 71153181) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-butyl-2,5-dimethylbenzimidazole.

Molecular Properties

Compound Name2-butyl-2,5-dimethylbenzimidazole
PubChem CID71153181
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-butyl-2,5-dimethylbenzimidazole
SMILESCCCCC1(C)N=c2ccc(C)cc2=N1
InChIInChI=1S/C13H18N2/c1-4-5-8-13(3)14-11-7-6-10(2)9-12(11)15-13/h6-7,9H,4-5,8H2,1-3H3
InChIKeyXJYFGWULKQCVAN-UHFFFAOYSA-N
XLogP2.15
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-butyl-2,5-dimethylbenzimidazole 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-butyl-2,5-dimethylbenzimidazole?
The IUPAC name of 2-butyl-2,5-dimethylbenzimidazole (CID 71153181) is 2-butyl-2,5-dimethylbenzimidazole.
What is the SMILES notation for 2-butyl-2,5-dimethylbenzimidazole?
The canonical SMILES for 2-butyl-2,5-dimethylbenzimidazole is CCCCC1(C)N=c2ccc(C)cc2=N1.
What is the InChIKey of 2-butyl-2,5-dimethylbenzimidazole?
The InChIKey is XJYFGWULKQCVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-4-5-8-13(3)14-11-7-6-10(2)9-12(11)15-13/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 2-butyl-2,5-dimethylbenzimidazole?
2-butyl-2,5-dimethylbenzimidazole has a molecular weight of 202.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2,5-dimethylbenzimidazole is sourced from PubChem (CID 71153181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).