3-chloro-N-(2,6-dimethylcyclohexyl)-2-imidazol-1-ylaniline

C17H22ClN3 — CID 43673619

IUPAC3-chloro-N-(2,6-dimethylcyclohexyl)-2-imidazol-1-ylaniline
SMILESCC1CCCC(C)C1Nc1cccc(Cl)c1-n1ccnc1
InChIInChI=1S/C17H22ClN3/c1-12-5-3-6-13(2)16(12)20-15-8-4-7-14(18)17(15)21-10-9-19-11-21/h4,7-13,16,20H,3,5-6H2,1-2H3
InChIKeyCFKNHRVYZBSRHQ-UHFFFAOYSA-N
MW303.84 g/mol
LogP4.76
Rot. Bonds3

About 3-chloro-N-(2,6-dimethylcyclohexyl)-2-imidazol-1-ylaniline

3-chloro-N-(2,6-dimethylcyclohexyl)-2-imidazol-1-ylaniline (PubChem CID 43673619) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 3-chloro-N-(2,6-dimethylcyclohexyl)-2-imidazol-1-ylaniline.

Molecular Properties

Compound Name3-chloro-N-(2,6-dimethylcyclohexyl)-2-imidazol-1-ylaniline
PubChem CID43673619
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name3-chloro-N-(2,6-dimethylcyclohexyl)-2-imidazol-1-ylaniline
SMILESCC1CCCC(C)C1Nc1cccc(Cl)c1-n1ccnc1
InChIInChI=1S/C17H22ClN3/c1-12-5-3-6-13(2)16(12)20-15-8-4-7-14(18)17(15)21-10-9-19-11-21/h4,7-13,16,20H,3,5-6H2,1-2H3
InChIKeyCFKNHRVYZBSRHQ-UHFFFAOYSA-N
XLogP4.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-(2,6-dimethylcyclohexyl)-2-imidazol-1-ylaniline 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 3-chloro-N-(2,6-dimethylcyclohexyl)-2-imidazol-1-ylaniline?
The IUPAC name of 3-chloro-N-(2,6-dimethylcyclohexyl)-2-imidazol-1-ylaniline (CID 43673619) is 3-chloro-N-(2,6-dimethylcyclohexyl)-2-imidazol-1-ylaniline.
What is the SMILES notation for 3-chloro-N-(2,6-dimethylcyclohexyl)-2-imidazol-1-ylaniline?
The canonical SMILES for 3-chloro-N-(2,6-dimethylcyclohexyl)-2-imidazol-1-ylaniline is CC1CCCC(C)C1Nc1cccc(Cl)c1-n1ccnc1.
What is the InChIKey of 3-chloro-N-(2,6-dimethylcyclohexyl)-2-imidazol-1-ylaniline?
The InChIKey is CFKNHRVYZBSRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-12-5-3-6-13(2)16(12)20-15-8-4-7-14(18)17(15)21-10-9-19-11-21/h4,7-13,16,20H,3,5-6H2,1-2H3.
What are the key properties of 3-chloro-N-(2,6-dimethylcyclohexyl)-2-imidazol-1-ylaniline?
3-chloro-N-(2,6-dimethylcyclohexyl)-2-imidazol-1-ylaniline has a molecular weight of 303.84 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,6-dimethylcyclohexyl)-2-imidazol-1-ylaniline is sourced from PubChem (CID 43673619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).