5-(4-chlorophenyl)-1-cyclooctylimidazol-2-amine

C17H22ClN3 — CID 50941113

IUPAC5-(4-chlorophenyl)-1-cyclooctylimidazol-2-amine
SMILESNc1ncc(-c2ccc(Cl)cc2)n1C1CCCCCCC1
InChIInChI=1S/C17H22ClN3/c18-14-10-8-13(9-11-14)16-12-20-17(19)21(16)15-6-4-2-1-3-5-7-15/h8-12,15H,1-7H2,(H2,19,20)
InChIKeyWWKULPIPMGAQFZ-UHFFFAOYSA-N
MW303.84 g/mol
LogP5.07
Rot. Bonds2

About 5-(4-chlorophenyl)-1-cyclooctylimidazol-2-amine

5-(4-chlorophenyl)-1-cyclooctylimidazol-2-amine (PubChem CID 50941113) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-cyclooctylimidazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-cyclooctylimidazol-2-amine
PubChem CID50941113
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name5-(4-chlorophenyl)-1-cyclooctylimidazol-2-amine
SMILESNc1ncc(-c2ccc(Cl)cc2)n1C1CCCCCCC1
InChIInChI=1S/C17H22ClN3/c18-14-10-8-13(9-11-14)16-12-20-17(19)21(16)15-6-4-2-1-3-5-7-15/h8-12,15H,1-7H2,(H2,19,20)
InChIKeyWWKULPIPMGAQFZ-UHFFFAOYSA-N
XLogP5.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.84
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-chlorophenyl)-1-cyclooctylimidazol-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 5-(4-chlorophenyl)-1-cyclooctylimidazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-1-cyclooctylimidazol-2-amine (CID 50941113) is 5-(4-chlorophenyl)-1-cyclooctylimidazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-1-cyclooctylimidazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-1-cyclooctylimidazol-2-amine is Nc1ncc(-c2ccc(Cl)cc2)n1C1CCCCCCC1.
What is the InChIKey of 5-(4-chlorophenyl)-1-cyclooctylimidazol-2-amine?
The InChIKey is WWKULPIPMGAQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c18-14-10-8-13(9-11-14)16-12-20-17(19)21(16)15-6-4-2-1-3-5-7-15/h8-12,15H,1-7H2,(H2,19,20).
What are the key properties of 5-(4-chlorophenyl)-1-cyclooctylimidazol-2-amine?
5-(4-chlorophenyl)-1-cyclooctylimidazol-2-amine has a molecular weight of 303.84 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-cyclooctylimidazol-2-amine is sourced from PubChem (CID 50941113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).