6-tert-butyl-1,2-dimethylbenzimidazole

C13H18N2 — CID 70331345

IUPAC6-tert-butyl-1,2-dimethylbenzimidazole
SMILESCc1nc2ccc(C(C)(C)C)cc2n1C
InChIInChI=1S/C13H18N2/c1-9-14-11-7-6-10(13(2,3)4)8-12(11)15(9)5/h6-8H,1-5H3
InChIKeyQUZUBFDOMKSBHJ-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.18
Rot. Bonds

About 6-tert-butyl-1,2-dimethylbenzimidazole

6-tert-butyl-1,2-dimethylbenzimidazole (PubChem CID 70331345) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 6-tert-butyl-1,2-dimethylbenzimidazole.

Molecular Properties

Compound Name6-tert-butyl-1,2-dimethylbenzimidazole
PubChem CID70331345
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name6-tert-butyl-1,2-dimethylbenzimidazole
SMILESCc1nc2ccc(C(C)(C)C)cc2n1C
InChIInChI=1S/C13H18N2/c1-9-14-11-7-6-10(13(2,3)4)8-12(11)15(9)5/h6-8H,1-5H3
InChIKeyQUZUBFDOMKSBHJ-UHFFFAOYSA-N
XLogP3.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-tert-butyl-1,2-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 6-tert-butyl-1,2-dimethylbenzimidazole?
The IUPAC name of 6-tert-butyl-1,2-dimethylbenzimidazole (CID 70331345) is 6-tert-butyl-1,2-dimethylbenzimidazole.
What is the SMILES notation for 6-tert-butyl-1,2-dimethylbenzimidazole?
The canonical SMILES for 6-tert-butyl-1,2-dimethylbenzimidazole is Cc1nc2ccc(C(C)(C)C)cc2n1C.
What is the InChIKey of 6-tert-butyl-1,2-dimethylbenzimidazole?
The InChIKey is QUZUBFDOMKSBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-9-14-11-7-6-10(13(2,3)4)8-12(11)15(9)5/h6-8H,1-5H3.
What are the key properties of 6-tert-butyl-1,2-dimethylbenzimidazole?
6-tert-butyl-1,2-dimethylbenzimidazole has a molecular weight of 202.30 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1,2-dimethylbenzimidazole is sourced from PubChem (CID 70331345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).