(5S)-1,5-dibenzyl-2-phenylimidazolidin-4-one

C23H22N2O — CID 12013114

IUPAC(5S)-1,5-dibenzyl-2-phenylimidazolidin-4-one
SMILESO=C1NC(c2ccccc2)N(Cc2ccccc2)[C@H]1Cc1ccccc1
InChIInChI=1S/C23H22N2O/c26-23-21(16-18-10-4-1-5-11-18)25(17-19-12-6-2-7-13-19)22(24-23)20-14-8-3-9-15-20/h1-15,21-22H,16-17H2,(H,24,26)/t21-,22?/m0/s1
InChIKeyYAFRKMUBGODFTP-HMTLIYDFSA-N
MW342.44 g/mol
LogP3.93
Rot. Bonds5

About (5S)-1,5-dibenzyl-2-phenylimidazolidin-4-one

(5S)-1,5-dibenzyl-2-phenylimidazolidin-4-one (PubChem CID 12013114) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is (5S)-1,5-dibenzyl-2-phenylimidazolidin-4-one.

Molecular Properties

Compound Name(5S)-1,5-dibenzyl-2-phenylimidazolidin-4-one
PubChem CID12013114
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name(5S)-1,5-dibenzyl-2-phenylimidazolidin-4-one
SMILESO=C1NC(c2ccccc2)N(Cc2ccccc2)[C@H]1Cc1ccccc1
InChIInChI=1S/C23H22N2O/c26-23-21(16-18-10-4-1-5-11-18)25(17-19-12-6-2-7-13-19)22(24-23)20-14-8-3-9-15-20/h1-15,21-22H,16-17H2,(H,24,26)/t21-,22?/m0/s1
InChIKeyYAFRKMUBGODFTP-HMTLIYDFSA-N
XLogP3.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-benzyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione
CID 53484443
(2S,5S)-1-methyl-5-(2-methylpropyl)-2-phenylimidazolidin-4-one
CID 10933359
(2R,5S)-1-methyl-5-(2-methylpropyl)-2-phenylimidazolidin-4-one
CID 10966388
(3S,6S,9R,12S,15S,18R)-3,6,9,12,15,18-hexabenzyl-1,10-dimethyl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
CID 10855003
1-benzyl-2,4,5-triphenylimidazolidine
CID 12733567
(4S)-1,3-dibenzyl-4-phenylazetidin-2-one
CID 58632784
1-[(2S,3S)-1-benzyl-3-phenylaziridin-2-yl]ethanone
CID 23243955
(5S)-5-benzyl-1-methylimidazolidine-2,4-dione
CID 165148051
5-benzyl-2,4-dioxoimidazolidine-1-carboxamide
CID 70583178
(2S)-1-benzylpyrrolidine-2,5-dicarboxylic acid
CID 175511692
(5S)-1-benzyl-5-phenylimidazolidine-2,4-dione
CID 28819549
(3R,6S)-6-benzyl-1-[(4-methoxyphenyl)methyl]-3-(sulfanylmethyl)piperazine-2,5-dione
CID 10809178

Frequently Asked Questions

What is the IUPAC name of (5S)-1,5-dibenzyl-2-phenylimidazolidin-4-one?
The IUPAC name of (5S)-1,5-dibenzyl-2-phenylimidazolidin-4-one (CID 12013114) is (5S)-1,5-dibenzyl-2-phenylimidazolidin-4-one.
What is the SMILES notation for (5S)-1,5-dibenzyl-2-phenylimidazolidin-4-one?
The canonical SMILES for (5S)-1,5-dibenzyl-2-phenylimidazolidin-4-one is O=C1NC(c2ccccc2)N(Cc2ccccc2)[C@H]1Cc1ccccc1.
What is the InChIKey of (5S)-1,5-dibenzyl-2-phenylimidazolidin-4-one?
The InChIKey is YAFRKMUBGODFTP-HMTLIYDFSA-N. The full InChI is InChI=1S/C23H22N2O/c26-23-21(16-18-10-4-1-5-11-18)25(17-19-12-6-2-7-13-19)22(24-23)20-14-8-3-9-15-20/h1-15,21-22H,16-17H2,(H,24,26)/t21-,22?/m0/s1.
What are the key properties of (5S)-1,5-dibenzyl-2-phenylimidazolidin-4-one?
(5S)-1,5-dibenzyl-2-phenylimidazolidin-4-one has a molecular weight of 342.44 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1,5-dibenzyl-2-phenylimidazolidin-4-one is sourced from PubChem (CID 12013114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).