2-amino-3-cyclohexyl-5-phenyl-5-(3-phenylphenyl)imidazol-4-one

C27H27N3O — CID 86272881

IUPAC2-amino-3-cyclohexyl-5-phenyl-5-(3-phenylphenyl)imidazol-4-one
SMILESNC1=NC(c2ccccc2)(c2cccc(-c3ccccc3)c2)C(=O)N1C1CCCCC1
InChIInChI=1S/C27H27N3O/c28-26-29-27(22-14-6-2-7-15-22,25(31)30(26)24-17-8-3-9-18-24)23-16-10-13-21(19-23)20-11-4-1-5-12-20/h1-2,4-7,10-16,19,24H,3,8-9,17-18H2,(H2,28,29)
InChIKeyRHABWWDRGMFEQE-UHFFFAOYSA-N
MW409.53 g/mol
LogP5.09
Rot. Bonds4

About 2-amino-3-cyclohexyl-5-phenyl-5-(3-phenylphenyl)imidazol-4-one

2-amino-3-cyclohexyl-5-phenyl-5-(3-phenylphenyl)imidazol-4-one (PubChem CID 86272881) has the molecular formula C27H27N3O and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-amino-3-cyclohexyl-5-phenyl-5-(3-phenylphenyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-3-cyclohexyl-5-phenyl-5-(3-phenylphenyl)imidazol-4-one
PubChem CID86272881
Molecular FormulaC27H27N3O
Molecular Weight409.53 g/mol
Exact Mass409.22
IUPAC Name2-amino-3-cyclohexyl-5-phenyl-5-(3-phenylphenyl)imidazol-4-one
SMILESNC1=NC(c2ccccc2)(c2cccc(-c3ccccc3)c2)C(=O)N1C1CCCCC1
InChIInChI=1S/C27H27N3O/c28-26-29-27(22-14-6-2-7-15-22,25(31)30(26)24-17-8-3-9-18-24)23-16-10-13-21(19-23)20-11-4-1-5-12-20/h1-2,4-7,10-16,19,24H,3,8-9,17-18H2,(H2,28,29)
InChIKeyRHABWWDRGMFEQE-UHFFFAOYSA-N
XLogP5.09
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-cyclohexyl-5-phenyl-5-(3-phenylphenyl)imidazol-4-one?
The IUPAC name of 2-amino-3-cyclohexyl-5-phenyl-5-(3-phenylphenyl)imidazol-4-one (CID 86272881) is 2-amino-3-cyclohexyl-5-phenyl-5-(3-phenylphenyl)imidazol-4-one.
What is the SMILES notation for 2-amino-3-cyclohexyl-5-phenyl-5-(3-phenylphenyl)imidazol-4-one?
The canonical SMILES for 2-amino-3-cyclohexyl-5-phenyl-5-(3-phenylphenyl)imidazol-4-one is NC1=NC(c2ccccc2)(c2cccc(-c3ccccc3)c2)C(=O)N1C1CCCCC1.
What is the InChIKey of 2-amino-3-cyclohexyl-5-phenyl-5-(3-phenylphenyl)imidazol-4-one?
The InChIKey is RHABWWDRGMFEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O/c28-26-29-27(22-14-6-2-7-15-22,25(31)30(26)24-17-8-3-9-18-24)23-16-10-13-21(19-23)20-11-4-1-5-12-20/h1-2,4-7,10-16,19,24H,3,8-9,17-18H2,(H2,28,29).
What are the key properties of 2-amino-3-cyclohexyl-5-phenyl-5-(3-phenylphenyl)imidazol-4-one?
2-amino-3-cyclohexyl-5-phenyl-5-(3-phenylphenyl)imidazol-4-one has a molecular weight of 409.53 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-cyclohexyl-5-phenyl-5-(3-phenylphenyl)imidazol-4-one is sourced from PubChem (CID 86272881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).