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

C21H23N3 — CID 50940599

IUPAC1-cyclohexyl-5-(4-phenylphenyl)imidazol-2-amine
SMILESNc1ncc(-c2ccc(-c3ccccc3)cc2)n1C1CCCCC1
InChIInChI=1S/C21H23N3/c22-21-23-15-20(24(21)19-9-5-2-6-10-19)18-13-11-17(12-14-18)16-7-3-1-4-8-16/h1,3-4,7-8,11-15,19H,2,5-6,9-10H2,(H2,22,23)
InChIKeyHSEJIVFRZAZKHO-UHFFFAOYSA-N
MW317.44 g/mol
LogP5.30
Rot. Bonds3

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

1-cyclohexyl-5-(4-phenylphenyl)imidazol-2-amine (PubChem CID 50940599) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-cyclohexyl-5-(4-phenylphenyl)imidazol-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-5-(4-phenylphenyl)imidazol-2-amine
PubChem CID50940599
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name1-cyclohexyl-5-(4-phenylphenyl)imidazol-2-amine
SMILESNc1ncc(-c2ccc(-c3ccccc3)cc2)n1C1CCCCC1
InChIInChI=1S/C21H23N3/c22-21-23-15-20(24(21)19-9-5-2-6-10-19)18-13-11-17(12-14-18)16-7-3-1-4-8-16/h1,3-4,7-8,11-15,19H,2,5-6,9-10H2,(H2,22,23)
InChIKeyHSEJIVFRZAZKHO-UHFFFAOYSA-N
XLogP5.30
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.44
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-(4-phenylphenyl)imidazol-2-amine?
The IUPAC name of 1-cyclohexyl-5-(4-phenylphenyl)imidazol-2-amine (CID 50940599) is 1-cyclohexyl-5-(4-phenylphenyl)imidazol-2-amine.
What is the SMILES notation for 1-cyclohexyl-5-(4-phenylphenyl)imidazol-2-amine?
The canonical SMILES for 1-cyclohexyl-5-(4-phenylphenyl)imidazol-2-amine is Nc1ncc(-c2ccc(-c3ccccc3)cc2)n1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5-(4-phenylphenyl)imidazol-2-amine?
The InChIKey is HSEJIVFRZAZKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c22-21-23-15-20(24(21)19-9-5-2-6-10-19)18-13-11-17(12-14-18)16-7-3-1-4-8-16/h1,3-4,7-8,11-15,19H,2,5-6,9-10H2,(H2,22,23).
What are the key properties of 1-cyclohexyl-5-(4-phenylphenyl)imidazol-2-amine?
1-cyclohexyl-5-(4-phenylphenyl)imidazol-2-amine has a molecular weight of 317.44 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-(4-phenylphenyl)imidazol-2-amine is sourced from PubChem (CID 50940599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).