(2S)-1-benzyl-2-(3,4-dichlorophenyl)-3-(1-phenylethenylamino)imidazolidin-4-one

C24H21Cl2N3O — CID 2257108

IUPAC(2S)-1-benzyl-2-(3,4-dichlorophenyl)-3-(1-phenylethenylamino)imidazolidin-4-one
SMILESC=C(NN1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C24H21Cl2N3O/c1-17(19-10-6-3-7-11-19)27-29-23(30)16-28(15-18-8-4-2-5-9-18)24(29)20-12-13-21(25)22(26)14-20/h2-14,24,27H,1,15-16H2/t24-/m0/s1
InChIKeyOYMKXDNGJIWVRU-DEOSSOPVSA-N
MW438.36 g/mol
LogP5.51
Rot. Bonds6

About (2S)-1-benzyl-2-(3,4-dichlorophenyl)-3-(1-phenylethenylamino)imidazolidin-4-one

(2S)-1-benzyl-2-(3,4-dichlorophenyl)-3-(1-phenylethenylamino)imidazolidin-4-one (PubChem CID 2257108) has the molecular formula C24H21Cl2N3O and a molecular weight of 438.36 g/mol. Its IUPAC name is (2S)-1-benzyl-2-(3,4-dichlorophenyl)-3-(1-phenylethenylamino)imidazolidin-4-one.

Molecular Properties

Compound Name(2S)-1-benzyl-2-(3,4-dichlorophenyl)-3-(1-phenylethenylamino)imidazolidin-4-one
PubChem CID2257108
Molecular FormulaC24H21Cl2N3O
Molecular Weight438.36 g/mol
Exact Mass437.11
IUPAC Name(2S)-1-benzyl-2-(3,4-dichlorophenyl)-3-(1-phenylethenylamino)imidazolidin-4-one
SMILESC=C(NN1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C24H21Cl2N3O/c1-17(19-10-6-3-7-11-19)27-29-23(30)16-28(15-18-8-4-2-5-9-18)24(29)20-12-13-21(25)22(26)14-20/h2-14,24,27H,1,15-16H2/t24-/m0/s1
InChIKeyOYMKXDNGJIWVRU-DEOSSOPVSA-N
XLogP5.51
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.36
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[1-(4-chlorophenyl)ethenylamino]-2-(3-nitrophenyl)imidazolidin-1-ium-4-one
CID 4229397
(3R,4S)-1-benzyl-4-(3,4-dichlorophenyl)-2-methylpyrrolidine-3-carboxylic acid
CID 67232869
(2R)-1-benzyl-2-phenyl-3-(1-phenylethylideneamino)imidazolidin-4-one
CID 129440112
(2S)-1-benzyl-2-(4-methylphenyl)-3-[(Z)-1-phenylethylideneamino]imidazolidin-4-one
CID 5456799
(1R,4aS)-2-benzyl-1-(3,4-dichlorophenyl)-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine
CID 11888526
1-benzyl-2-(4-methoxyphenyl)-3-(1-phenylethylideneamino)imidazolidin-4-one
CID 2859837
3-benzoyl-1-benzyl-2-tert-butylimidazolidin-4-one
CID 570264
(2R)-1-benzyl-2-(3,4-dichlorophenyl)-3-phenyl-2H-quinazolin-4-one
CID 126346502
(2R)-1-benzyl-3-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-pyridin-4-ylimidazolidin-4-one
CID 5441923
1-benzyl-N-(4-chloro-3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 86913721
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(3,4-dichlorophenyl)benzamide
CID 38096110
2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]-N-(3,4-dichlorophenyl)acetamide
CID 41475117

Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzyl-2-(3,4-dichlorophenyl)-3-(1-phenylethenylamino)imidazolidin-4-one?
The IUPAC name of (2S)-1-benzyl-2-(3,4-dichlorophenyl)-3-(1-phenylethenylamino)imidazolidin-4-one (CID 2257108) is (2S)-1-benzyl-2-(3,4-dichlorophenyl)-3-(1-phenylethenylamino)imidazolidin-4-one.
What is the SMILES notation for (2S)-1-benzyl-2-(3,4-dichlorophenyl)-3-(1-phenylethenylamino)imidazolidin-4-one?
The canonical SMILES for (2S)-1-benzyl-2-(3,4-dichlorophenyl)-3-(1-phenylethenylamino)imidazolidin-4-one is C=C(NN1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of (2S)-1-benzyl-2-(3,4-dichlorophenyl)-3-(1-phenylethenylamino)imidazolidin-4-one?
The InChIKey is OYMKXDNGJIWVRU-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H21Cl2N3O/c1-17(19-10-6-3-7-11-19)27-29-23(30)16-28(15-18-8-4-2-5-9-18)24(29)20-12-13-21(25)22(26)14-20/h2-14,24,27H,1,15-16H2/t24-/m0/s1.
What are the key properties of (2S)-1-benzyl-2-(3,4-dichlorophenyl)-3-(1-phenylethenylamino)imidazolidin-4-one?
(2S)-1-benzyl-2-(3,4-dichlorophenyl)-3-(1-phenylethenylamino)imidazolidin-4-one has a molecular weight of 438.36 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzyl-2-(3,4-dichlorophenyl)-3-(1-phenylethenylamino)imidazolidin-4-one is sourced from PubChem (CID 2257108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).