1-(2,2-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine

C16H23N3 — CID 115552593

IUPAC1-(2,2-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine
SMILESCc1cccc2nc(N)n(C3CCCCC3(C)C)c12
InChIInChI=1S/C16H23N3/c1-11-7-6-8-12-14(11)19(15(17)18-12)13-9-4-5-10-16(13,2)3/h6-8,13H,4-5,9-10H2,1-3H3,(H2,17,18)
InChIKeyKOZOWZHOLGEABW-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.07
Rot. Bonds1

About 1-(2,2-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine

1-(2,2-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine (PubChem CID 115552593) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine
PubChem CID115552593
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-(2,2-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine
SMILESCc1cccc2nc(N)n(C3CCCCC3(C)C)c12
InChIInChI=1S/C16H23N3/c1-11-7-6-8-12-14(11)19(15(17)18-12)13-9-4-5-10-16(13,2)3/h6-8,13H,4-5,9-10H2,1-3H3,(H2,17,18)
InChIKeyKOZOWZHOLGEABW-UHFFFAOYSA-N
XLogP4.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,2-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine 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-(2,2-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine?
The IUPAC name of 1-(2,2-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine (CID 115552593) is 1-(2,2-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine?
The canonical SMILES for 1-(2,2-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine is Cc1cccc2nc(N)n(C3CCCCC3(C)C)c12.
What is the InChIKey of 1-(2,2-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine?
The InChIKey is KOZOWZHOLGEABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11-7-6-8-12-14(11)19(15(17)18-12)13-9-4-5-10-16(13,2)3/h6-8,13H,4-5,9-10H2,1-3H3,(H2,17,18).
What are the key properties of 1-(2,2-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine?
1-(2,2-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine has a molecular weight of 257.38 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine is sourced from PubChem (CID 115552593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).