(5S)-5-(1,3-dioxo-1,3-diphenylpropan-2-yl)-1,3-dimethyl-5-phenylimidazolidine-2,4-dione;(5R)-5-(1,3-dioxo-1,3-diphenylpropan-2-yl)-1,3-dimethyl-5-phenylimidazolidine-2,4-dione

C52H44N4O8 — CID 139037842

IUPAC(5S)-5-(1,3-dioxo-1,3-diphenylpropan-2-yl)-1,3-dimethyl-5-phenylimidazolidine-2,4-dione;(5R)-5-(1,3-dioxo-1,3-diphenylpropan-2-yl)-1,3-dimethyl-5-phenylimidazolidine-2,4-dione
SMILESCN1C(=O)N(C)[C@@](c2ccccc2)(C(C(=O)c2ccccc2)C(=O)c2ccccc2)C1=O.CN1C(=O)N(C)[C@](c2ccccc2)(C(C(=O)c2ccccc2)C(=O)c2ccccc2)C1=O
InChIInChI=1S/2C26H22N2O4/c2*1-27-24(31)26(28(2)25(27)32,20-16-10-5-11-17-20)21(22(29)18-12-6-3-7-13-18)23(30)19-14-8-4-9-15-19/h2*3-17,21H,1-2H3/t2*26-/m10/s1
InChIKeyDVOGTSIERMPRBW-UVZIVPAYSA-N
MW852.94 g/mol
LogP7.58
Rot. Bonds12

About (5S)-5-(1,3-dioxo-1,3-diphenylpropan-2-yl)-1,3-dimethyl-5-phenylimidazolidine-2,4-dione;(5R)-5-(1,3-dioxo-1,3-diphenylpropan-2-yl)-1,3-dimethyl-5-phenylimidazolidine-2,4-dione

(5S)-5-(1,3-dioxo-1,3-diphenylpropan-2-yl)-1,3-dimethyl-5-phenylimidazolidine-2,4-dione;(5R)-5-(1,3-dioxo-1,3-diphenylpropan-2-yl)-1,3-dimethyl-5-phenylimidazolidine-2,4-dione (PubChem CID 139037842) has the molecular formula C52H44N4O8 and a molecular weight of 852.94 g/mol. Its IUPAC name is (5S)-5-(1,3-dioxo-1,3-diphenylpropan-2-yl)-1,3-dimethyl-5-phenylimidazolidine-2,4-dione;(5R)-5-(1,3-dioxo-1,3-diphenylpropan-2-yl)-1,3-dimethyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(1,3-dioxo-1,3-diphenylpropan-2-yl)-1,3-dimethyl-5-phenylimidazolidine-2,4-dione;(5R)-5-(1,3-dioxo-1,3-diphenylpropan-2-yl)-1,3-dimethyl-5-phenylimidazolidine-2,4-dione
PubChem CID139037842
Molecular FormulaC52H44N4O8
Molecular Weight852.94 g/mol
Exact Mass852.32
IUPAC Name(5S)-5-(1,3-dioxo-1,3-diphenylpropan-2-yl)-1,3-dimethyl-5-phenylimidazolidine-2,4-dione;(5R)-5-(1,3-dioxo-1,3-diphenylpropan-2-yl)-1,3-dimethyl-5-phenylimidazolidine-2,4-dione
SMILESCN1C(=O)N(C)[C@@](c2ccccc2)(C(C(=O)c2ccccc2)C(=O)c2ccccc2)C1=O.CN1C(=O)N(C)[C@](c2ccccc2)(C(C(=O)c2ccccc2)C(=O)c2ccccc2)C1=O
InChIInChI=1S/2C26H22N2O4/c2*1-27-24(31)26(28(2)25(27)32,20-16-10-5-11-17-20)21(22(29)18-12-6-3-7-13-18)23(30)19-14-8-4-9-15-19/h2*3-17,21H,1-2H3/t2*26-/m10/s1
InChIKeyDVOGTSIERMPRBW-UVZIVPAYSA-N
XLogP7.58
TPSA149.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.94
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (5S)-5-(1,3-dioxo-1,3-diphenylpropan-2-yl)-1,3-dimethyl-5-phenylimidazolidine-2,4-dione;(5R)-5-(1,3-dioxo-1,3-diphenylpropan-2-yl)-1,3-dimethyl-5-phenylimidazolidine-2,4-dione with MolForge

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Related Compounds

methyl 3-(4-chlorophenyl)-2-(1,3-dimethyl-2,5-dioxo-4-phenylimidazolidin-4-yl)-3-oxopropanoate
CID 102045214
5-[hydroxy(phenyl)methyl]-1,3-dimethyl-5-phenylimidazolidine-2,4-dione
CID 14493359
1,3-dimethyl-5-(4-methylphenyl)-5-phenylimidazolidine-2,4-dione
CID 71388254
(3S)-3-hydroxy-1-methyl-3-[(1R)-2-oxo-1,2-diphenylethyl]indol-2-one
CID 12030607
(5R)-5-(2-aminoethyl)-1,3-dimethyl-5-phenylimidazolidine-2,4-dione
CID 10613013
(3S)-5-bromo-3-hydroxy-1-methyl-3-[(2S)-1-oxo-1-phenylpropan-2-yl]indol-2-one
CID 7281206
1-methoxy-3-methyl-5,5-diphenyl-1,3-diazinane-2,4,6-trione
CID 161316865
2,3-dibenzoyl-1,4-diphenylbutane-1,4-dione
CID 4277936
3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione
CID 2493473
2-[(2S,4S)-2-tert-butyl-5-oxo-4-phenyl-1,3-dioxolan-4-yl]-1,3-diphenylpropane-1,3-dione
CID 101353890
5-[hydroxy(phenyl)methyl]-1-methyl-5-phenylimidazolidine-2,4-dione
CID 14493358
3-benzoyl-5,5-diphenylimidazolidine-2,4-dione
CID 101453416

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(1,3-dioxo-1,3-diphenylpropan-2-yl)-1,3-dimethyl-5-phenylimidazolidine-2,4-dione;(5R)-5-(1,3-dioxo-1,3-diphenylpropan-2-yl)-1,3-dimethyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(1,3-dioxo-1,3-diphenylpropan-2-yl)-1,3-dimethyl-5-phenylimidazolidine-2,4-dione;(5R)-5-(1,3-dioxo-1,3-diphenylpropan-2-yl)-1,3-dimethyl-5-phenylimidazolidine-2,4-dione (CID 139037842) is (5S)-5-(1,3-dioxo-1,3-diphenylpropan-2-yl)-1,3-dimethyl-5-phenylimidazolidine-2,4-dione;(5R)-5-(1,3-dioxo-1,3-diphenylpropan-2-yl)-1,3-dimethyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(1,3-dioxo-1,3-diphenylpropan-2-yl)-1,3-dimethyl-5-phenylimidazolidine-2,4-dione;(5R)-5-(1,3-dioxo-1,3-diphenylpropan-2-yl)-1,3-dimethyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(1,3-dioxo-1,3-diphenylpropan-2-yl)-1,3-dimethyl-5-phenylimidazolidine-2,4-dione;(5R)-5-(1,3-dioxo-1,3-diphenylpropan-2-yl)-1,3-dimethyl-5-phenylimidazolidine-2,4-dione is CN1C(=O)N(C)[C@@](c2ccccc2)(C(C(=O)c2ccccc2)C(=O)c2ccccc2)C1=O.CN1C(=O)N(C)[C@](c2ccccc2)(C(C(=O)c2ccccc2)C(=O)c2ccccc2)C1=O.
What is the InChIKey of (5S)-5-(1,3-dioxo-1,3-diphenylpropan-2-yl)-1,3-dimethyl-5-phenylimidazolidine-2,4-dione;(5R)-5-(1,3-dioxo-1,3-diphenylpropan-2-yl)-1,3-dimethyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is DVOGTSIERMPRBW-UVZIVPAYSA-N. The full InChI is InChI=1S/2C26H22N2O4/c2*1-27-24(31)26(28(2)25(27)32,20-16-10-5-11-17-20)21(22(29)18-12-6-3-7-13-18)23(30)19-14-8-4-9-15-19/h2*3-17,21H,1-2H3/t2*26-/m10/s1.
What are the key properties of (5S)-5-(1,3-dioxo-1,3-diphenylpropan-2-yl)-1,3-dimethyl-5-phenylimidazolidine-2,4-dione;(5R)-5-(1,3-dioxo-1,3-diphenylpropan-2-yl)-1,3-dimethyl-5-phenylimidazolidine-2,4-dione?
(5S)-5-(1,3-dioxo-1,3-diphenylpropan-2-yl)-1,3-dimethyl-5-phenylimidazolidine-2,4-dione;(5R)-5-(1,3-dioxo-1,3-diphenylpropan-2-yl)-1,3-dimethyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 852.94 g/mol, XLogP of 7.58, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(1,3-dioxo-1,3-diphenylpropan-2-yl)-1,3-dimethyl-5-phenylimidazolidine-2,4-dione;(5R)-5-(1,3-dioxo-1,3-diphenylpropan-2-yl)-1,3-dimethyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 139037842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).