(2S,5S)-5-benzoyl-1-cyclohexyl-2,3-diphenylimidazolidin-4-one

C28H28N2O2 — CID 131845183

IUPAC(2S,5S)-5-benzoyl-1-cyclohexyl-2,3-diphenylimidazolidin-4-one
SMILESO=C(c1ccccc1)[C@H]1C(=O)N(c2ccccc2)[C@@H](c2ccccc2)N1C1CCCCC1
InChIInChI=1S/C28H28N2O2/c31-26(21-13-5-1-6-14-21)25-28(32)30(24-19-11-4-12-20-24)27(22-15-7-2-8-16-22)29(25)23-17-9-3-10-18-23/h1-2,4-8,11-16,19-20,23,25,27H,3,9-10,17-18H2/t25-,27-/m0/s1
InChIKeyGZVBFOOUEUGVJY-BDYUSTAISA-N
MW424.54 g/mol
LogP5.62
Rot. Bonds5

About (2S,5S)-5-benzoyl-1-cyclohexyl-2,3-diphenylimidazolidin-4-one

(2S,5S)-5-benzoyl-1-cyclohexyl-2,3-diphenylimidazolidin-4-one (PubChem CID 131845183) has the molecular formula C28H28N2O2 and a molecular weight of 424.54 g/mol. Its IUPAC name is (2S,5S)-5-benzoyl-1-cyclohexyl-2,3-diphenylimidazolidin-4-one.

Molecular Properties

Compound Name(2S,5S)-5-benzoyl-1-cyclohexyl-2,3-diphenylimidazolidin-4-one
PubChem CID131845183
Molecular FormulaC28H28N2O2
Molecular Weight424.54 g/mol
Exact Mass424.22
IUPAC Name(2S,5S)-5-benzoyl-1-cyclohexyl-2,3-diphenylimidazolidin-4-one
SMILESO=C(c1ccccc1)[C@H]1C(=O)N(c2ccccc2)[C@@H](c2ccccc2)N1C1CCCCC1
InChIInChI=1S/C28H28N2O2/c31-26(21-13-5-1-6-14-21)25-28(32)30(24-19-11-4-12-20-24)27(22-15-7-2-8-16-22)29(25)23-17-9-3-10-18-23/h1-2,4-8,11-16,19-20,23,25,27H,3,9-10,17-18H2/t25-,27-/m0/s1
InChIKeyGZVBFOOUEUGVJY-BDYUSTAISA-N
XLogP5.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (2S,5S)-5-benzoyl-1-cyclohexyl-2,3-diphenylimidazolidin-4-one 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

(3R,4S)-4-cyclohexyl-1,3-diphenylazetidin-2-one
CID 102205609
phenyl-(4-piperidin-1-ylcyclohexyl)methanone
CID 25984
(3aS,4S,7S,7aR)-2-cyclohexyl-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 6593595
N-(1-cyclopentylpyrrolidin-2-yl)benzamide
CID 90727034
5-benzoyl-3-fluoro-1-phenylpyrrolidin-2-one
CID 174287179
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
cyclohexyl(phenyl)methanone;molecular hydrogen
CID 143135360
(4aR,7aR)-1-cyclohexyl-6,6-dioxo-4-phenyl-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin-3-one
CID 51491662
1-cyclohexyl-3-phenacylimidazolidine-2,4,5-trione
CID 34603406
2-benzoylcyclotridecan-1-one
CID 101422484
(3S,9aR)-1,3-diphenyl-5,6,7,8,9,9a-hexahydro-3H-imidazo[1,2-a]azepin-2-one
CID 162399827
4-cyclohexyl-3,5-diphenyl-1,2,4-dioxazolidine
CID 10335511

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-benzoyl-1-cyclohexyl-2,3-diphenylimidazolidin-4-one?
The IUPAC name of (2S,5S)-5-benzoyl-1-cyclohexyl-2,3-diphenylimidazolidin-4-one (CID 131845183) is (2S,5S)-5-benzoyl-1-cyclohexyl-2,3-diphenylimidazolidin-4-one.
What is the SMILES notation for (2S,5S)-5-benzoyl-1-cyclohexyl-2,3-diphenylimidazolidin-4-one?
The canonical SMILES for (2S,5S)-5-benzoyl-1-cyclohexyl-2,3-diphenylimidazolidin-4-one is O=C(c1ccccc1)[C@H]1C(=O)N(c2ccccc2)[C@@H](c2ccccc2)N1C1CCCCC1.
What is the InChIKey of (2S,5S)-5-benzoyl-1-cyclohexyl-2,3-diphenylimidazolidin-4-one?
The InChIKey is GZVBFOOUEUGVJY-BDYUSTAISA-N. The full InChI is InChI=1S/C28H28N2O2/c31-26(21-13-5-1-6-14-21)25-28(32)30(24-19-11-4-12-20-24)27(22-15-7-2-8-16-22)29(25)23-17-9-3-10-18-23/h1-2,4-8,11-16,19-20,23,25,27H,3,9-10,17-18H2/t25-,27-/m0/s1.
What are the key properties of (2S,5S)-5-benzoyl-1-cyclohexyl-2,3-diphenylimidazolidin-4-one?
(2S,5S)-5-benzoyl-1-cyclohexyl-2,3-diphenylimidazolidin-4-one has a molecular weight of 424.54 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-benzoyl-1-cyclohexyl-2,3-diphenylimidazolidin-4-one is sourced from PubChem (CID 131845183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).