N-(3,5-dimethylcyclohexyl)-1-phenylimidazol-2-amine

C17H23N3 — CID 106575351

IUPACN-(3,5-dimethylcyclohexyl)-1-phenylimidazol-2-amine
SMILESCC1CC(C)CC(Nc2nccn2-c2ccccc2)C1
InChIInChI=1S/C17H23N3/c1-13-10-14(2)12-15(11-13)19-17-18-8-9-20(17)16-6-4-3-5-7-16/h3-9,13-15H,10-12H2,1-2H3,(H,18,19)
InChIKeyBMRDXCZFKOBYOO-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.11
Rot. Bonds3

About N-(3,5-dimethylcyclohexyl)-1-phenylimidazol-2-amine

N-(3,5-dimethylcyclohexyl)-1-phenylimidazol-2-amine (PubChem CID 106575351) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-1-phenylimidazol-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-1-phenylimidazol-2-amine
PubChem CID106575351
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-(3,5-dimethylcyclohexyl)-1-phenylimidazol-2-amine
SMILESCC1CC(C)CC(Nc2nccn2-c2ccccc2)C1
InChIInChI=1S/C17H23N3/c1-13-10-14(2)12-15(11-13)19-17-18-8-9-20(17)16-6-4-3-5-7-16/h3-9,13-15H,10-12H2,1-2H3,(H,18,19)
InChIKeyBMRDXCZFKOBYOO-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-(3,5-dimethylcyclohexyl)-1-phenylimidazol-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 N-(3,5-dimethylcyclohexyl)-1-phenylimidazol-2-amine?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-1-phenylimidazol-2-amine (CID 106575351) is N-(3,5-dimethylcyclohexyl)-1-phenylimidazol-2-amine.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-1-phenylimidazol-2-amine?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-1-phenylimidazol-2-amine is CC1CC(C)CC(Nc2nccn2-c2ccccc2)C1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-1-phenylimidazol-2-amine?
The InChIKey is BMRDXCZFKOBYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13-10-14(2)12-15(11-13)19-17-18-8-9-20(17)16-6-4-3-5-7-16/h3-9,13-15H,10-12H2,1-2H3,(H,18,19).
What are the key properties of N-(3,5-dimethylcyclohexyl)-1-phenylimidazol-2-amine?
N-(3,5-dimethylcyclohexyl)-1-phenylimidazol-2-amine 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-(3,5-dimethylcyclohexyl)-1-phenylimidazol-2-amine is sourced from PubChem (CID 106575351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).