5-(2,2-dimethylpropyl)-2H-benzimidazole

C12H16N2 — CID 58147203

IUPAC5-(2,2-dimethylpropyl)-2H-benzimidazole
SMILESCC(C)(C)Cc1ccc2c(c1)=NCN=2
InChIInChI=1S/C12H16N2/c1-12(2,3)7-9-4-5-10-11(6-9)14-8-13-10/h4-6H,7-8H2,1-3H3
InChIKeyCLKYQFCEOXQUPG-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.49
Rot. Bonds1

About 5-(2,2-dimethylpropyl)-2H-benzimidazole

5-(2,2-dimethylpropyl)-2H-benzimidazole (PubChem CID 58147203) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-2H-benzimidazole.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-2H-benzimidazole
PubChem CID58147203
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name5-(2,2-dimethylpropyl)-2H-benzimidazole
SMILESCC(C)(C)Cc1ccc2c(c1)=NCN=2
InChIInChI=1S/C12H16N2/c1-12(2,3)7-9-4-5-10-11(6-9)14-8-13-10/h4-6H,7-8H2,1-3H3
InChIKeyCLKYQFCEOXQUPG-UHFFFAOYSA-N
XLogP1.49
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(2,2-dimethylpropyl)-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 5-(2,2-dimethylpropyl)-2H-benzimidazole?
The IUPAC name of 5-(2,2-dimethylpropyl)-2H-benzimidazole (CID 58147203) is 5-(2,2-dimethylpropyl)-2H-benzimidazole.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-2H-benzimidazole?
The canonical SMILES for 5-(2,2-dimethylpropyl)-2H-benzimidazole is CC(C)(C)Cc1ccc2c(c1)=NCN=2.
What is the InChIKey of 5-(2,2-dimethylpropyl)-2H-benzimidazole?
The InChIKey is CLKYQFCEOXQUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-12(2,3)7-9-4-5-10-11(6-9)14-8-13-10/h4-6H,7-8H2,1-3H3.
What are the key properties of 5-(2,2-dimethylpropyl)-2H-benzimidazole?
5-(2,2-dimethylpropyl)-2H-benzimidazole has a molecular weight of 188.27 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-2H-benzimidazole is sourced from PubChem (CID 58147203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).