6-bromo-2-(2,2-dimethylcyclohexyl)-1H-benzimidazol-4-amine

C15H20BrN3 — CID 107178979

IUPAC6-bromo-2-(2,2-dimethylcyclohexyl)-1H-benzimidazol-4-amine
SMILESCC1(C)CCCCC1c1nc2c(N)cc(Br)cc2[nH]1
InChIInChI=1S/C15H20BrN3/c1-15(2)6-4-3-5-10(15)14-18-12-8-9(16)7-11(17)13(12)19-14/h7-8,10H,3-6,17H2,1-2H3,(H,18,19)
InChIKeyAVSZIGDERHOKNU-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.59
Rot. Bonds1

About 6-bromo-2-(2,2-dimethylcyclohexyl)-1H-benzimidazol-4-amine

6-bromo-2-(2,2-dimethylcyclohexyl)-1H-benzimidazol-4-amine (PubChem CID 107178979) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 6-bromo-2-(2,2-dimethylcyclohexyl)-1H-benzimidazol-4-amine.

Molecular Properties

Compound Name6-bromo-2-(2,2-dimethylcyclohexyl)-1H-benzimidazol-4-amine
PubChem CID107178979
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name6-bromo-2-(2,2-dimethylcyclohexyl)-1H-benzimidazol-4-amine
SMILESCC1(C)CCCCC1c1nc2c(N)cc(Br)cc2[nH]1
InChIInChI=1S/C15H20BrN3/c1-15(2)6-4-3-5-10(15)14-18-12-8-9(16)7-11(17)13(12)19-14/h7-8,10H,3-6,17H2,1-2H3,(H,18,19)
InChIKeyAVSZIGDERHOKNU-UHFFFAOYSA-N
XLogP4.59
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-bromo-2-(2,2-dimethylcyclohexyl)-1H-benzimidazol-4-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 6-bromo-2-(2,2-dimethylcyclohexyl)-1H-benzimidazol-4-amine?
The IUPAC name of 6-bromo-2-(2,2-dimethylcyclohexyl)-1H-benzimidazol-4-amine (CID 107178979) is 6-bromo-2-(2,2-dimethylcyclohexyl)-1H-benzimidazol-4-amine.
What is the SMILES notation for 6-bromo-2-(2,2-dimethylcyclohexyl)-1H-benzimidazol-4-amine?
The canonical SMILES for 6-bromo-2-(2,2-dimethylcyclohexyl)-1H-benzimidazol-4-amine is CC1(C)CCCCC1c1nc2c(N)cc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-2-(2,2-dimethylcyclohexyl)-1H-benzimidazol-4-amine?
The InChIKey is AVSZIGDERHOKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-15(2)6-4-3-5-10(15)14-18-12-8-9(16)7-11(17)13(12)19-14/h7-8,10H,3-6,17H2,1-2H3,(H,18,19).
What are the key properties of 6-bromo-2-(2,2-dimethylcyclohexyl)-1H-benzimidazol-4-amine?
6-bromo-2-(2,2-dimethylcyclohexyl)-1H-benzimidazol-4-amine has a molecular weight of 322.25 g/mol, XLogP of 4.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2,2-dimethylcyclohexyl)-1H-benzimidazol-4-amine is sourced from PubChem (CID 107178979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).