1-cyclooctyl-5-(4-phenylphenyl)imidazol-2-amine

C23H27N3 — CID 50940601

IUPAC1-cyclooctyl-5-(4-phenylphenyl)imidazol-2-amine
SMILESNc1ncc(-c2ccc(-c3ccccc3)cc2)n1C1CCCCCCC1
InChIInChI=1S/C23H27N3/c24-23-25-17-22(26(23)21-11-7-2-1-3-8-12-21)20-15-13-19(14-16-20)18-9-5-4-6-10-18/h4-6,9-10,13-17,21H,1-3,7-8,11-12H2,(H2,24,25)
InChIKeyYNLCDIVRFQTKLZ-UHFFFAOYSA-N
MW345.49 g/mol
LogP6.08
Rot. Bonds3

About 1-cyclooctyl-5-(4-phenylphenyl)imidazol-2-amine

1-cyclooctyl-5-(4-phenylphenyl)imidazol-2-amine (PubChem CID 50940601) has the molecular formula C23H27N3 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-cyclooctyl-5-(4-phenylphenyl)imidazol-2-amine.

Molecular Properties

Compound Name1-cyclooctyl-5-(4-phenylphenyl)imidazol-2-amine
PubChem CID50940601
Molecular FormulaC23H27N3
Molecular Weight345.49 g/mol
Exact Mass345.22
IUPAC Name1-cyclooctyl-5-(4-phenylphenyl)imidazol-2-amine
SMILESNc1ncc(-c2ccc(-c3ccccc3)cc2)n1C1CCCCCCC1
InChIInChI=1S/C23H27N3/c24-23-25-17-22(26(23)21-11-7-2-1-3-8-12-21)20-15-13-19(14-16-20)18-9-5-4-6-10-18/h4-6,9-10,13-17,21H,1-3,7-8,11-12H2,(H2,24,25)
InChIKeyYNLCDIVRFQTKLZ-UHFFFAOYSA-N
XLogP6.08
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclooctyl-5-(4-phenylphenyl)imidazol-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 1-cyclooctyl-5-(4-phenylphenyl)imidazol-2-amine?
The IUPAC name of 1-cyclooctyl-5-(4-phenylphenyl)imidazol-2-amine (CID 50940601) is 1-cyclooctyl-5-(4-phenylphenyl)imidazol-2-amine.
What is the SMILES notation for 1-cyclooctyl-5-(4-phenylphenyl)imidazol-2-amine?
The canonical SMILES for 1-cyclooctyl-5-(4-phenylphenyl)imidazol-2-amine is Nc1ncc(-c2ccc(-c3ccccc3)cc2)n1C1CCCCCCC1.
What is the InChIKey of 1-cyclooctyl-5-(4-phenylphenyl)imidazol-2-amine?
The InChIKey is YNLCDIVRFQTKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3/c24-23-25-17-22(26(23)21-11-7-2-1-3-8-12-21)20-15-13-19(14-16-20)18-9-5-4-6-10-18/h4-6,9-10,13-17,21H,1-3,7-8,11-12H2,(H2,24,25).
What are the key properties of 1-cyclooctyl-5-(4-phenylphenyl)imidazol-2-amine?
1-cyclooctyl-5-(4-phenylphenyl)imidazol-2-amine has a molecular weight of 345.49 g/mol, XLogP of 6.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-5-(4-phenylphenyl)imidazol-2-amine is sourced from PubChem (CID 50940601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).