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

Related Compounds

5-(4-chlorophenyl)-1-cycloheptylimidazol-2-amine
CID 50941112
1-cyclopentyl-5-(4-phenylphenyl)imidazol-2-amine
CID 53323392
2-chloro-6-(4-chlorophenyl)-7-cyclopentylpyrrolo[2,3-d]pyrimidine
CID 122372650
2-[5-(4-chlorophenyl)-1-cyclopentylimidazol-2-yl]sulfanyl-N-(4-cyclohexylphenyl)acetamide
CID 3229830
5-(4-chlorophenyl)-1-tetradecylimidazol-2-amine
CID 50941055
5-(4-chlorophenyl)-1-decylimidazol-2-amine
CID 50941029
2-[[2-amino-5-(4-chlorophenyl)imidazol-1-yl]iminomethyl]phenol
CID 135824983
7-(4-chlorophenyl)-6-cyclohexyl-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 1259511
2-(4-chlorophenyl)pyrimidin-5-amine
CID 609457
3-amino-1-cyclohexyl-6-(4-propan-2-ylphenyl)pyridin-2-one
CID 82466859
2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 3290475
4-(4-chlorophenyl)-3-cyclopentyl-N-(2-nitrophenyl)-1,3-thiazol-2-imine
CID 23931497

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).