N-(2,4-dimethylcyclohexyl)-2-imidazol-1-ylaniline

C17H23N3 — CID 64761397

IUPACN-(2,4-dimethylcyclohexyl)-2-imidazol-1-ylaniline
SMILESCC1CCC(Nc2ccccc2-n2ccnc2)C(C)C1
InChIInChI=1S/C17H23N3/c1-13-7-8-15(14(2)11-13)19-16-5-3-4-6-17(16)20-10-9-18-12-20/h3-6,9-10,12-15,19H,7-8,11H2,1-2H3
InChIKeyXBZRWNOYXCCCPI-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.11
Rot. Bonds3

About N-(2,4-dimethylcyclohexyl)-2-imidazol-1-ylaniline

N-(2,4-dimethylcyclohexyl)-2-imidazol-1-ylaniline (PubChem CID 64761397) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)-2-imidazol-1-ylaniline.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)-2-imidazol-1-ylaniline
PubChem CID64761397
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-(2,4-dimethylcyclohexyl)-2-imidazol-1-ylaniline
SMILESCC1CCC(Nc2ccccc2-n2ccnc2)C(C)C1
InChIInChI=1S/C17H23N3/c1-13-7-8-15(14(2)11-13)19-16-5-3-4-6-17(16)20-10-9-18-12-20/h3-6,9-10,12-15,19H,7-8,11H2,1-2H3
InChIKeyXBZRWNOYXCCCPI-UHFFFAOYSA-N
XLogP4.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,4-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 N-(2,4-dimethylcyclohexyl)-2-imidazol-1-ylaniline?
The IUPAC name of N-(2,4-dimethylcyclohexyl)-2-imidazol-1-ylaniline (CID 64761397) is N-(2,4-dimethylcyclohexyl)-2-imidazol-1-ylaniline.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)-2-imidazol-1-ylaniline?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)-2-imidazol-1-ylaniline is CC1CCC(Nc2ccccc2-n2ccnc2)C(C)C1.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)-2-imidazol-1-ylaniline?
The InChIKey is XBZRWNOYXCCCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13-7-8-15(14(2)11-13)19-16-5-3-4-6-17(16)20-10-9-18-12-20/h3-6,9-10,12-15,19H,7-8,11H2,1-2H3.
What are the key properties of N-(2,4-dimethylcyclohexyl)-2-imidazol-1-ylaniline?
N-(2,4-dimethylcyclohexyl)-2-imidazol-1-ylaniline has a molecular weight of 269.39 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylcyclohexyl)-2-imidazol-1-ylaniline is sourced from PubChem (CID 64761397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).