(2S)-1-benzyl-3-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-naphthalen-1-ylimidazolidin-4-one

C28H24ClN3O — CID 94846821

IUPAC(2S)-1-benzyl-3-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-naphthalen-1-ylimidazolidin-4-one
SMILESC/C(=N/N1C(=O)CN(Cc2ccccc2)[C@@H]1c1cccc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C28H24ClN3O/c1-20(22-14-16-24(29)17-15-22)30-32-27(33)19-31(18-21-8-3-2-4-9-21)28(32)26-13-7-11-23-10-5-6-12-25(23)26/h2-17,28H,18-19H2,1H3/b30-20-/t28-/m0/s1
InChIKeyIJHTXBNNBREJBK-ASYBXRLASA-N
MW453.97 g/mol
LogP6.26
Rot. Bonds5

About (2S)-1-benzyl-3-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-naphthalen-1-ylimidazolidin-4-one

(2S)-1-benzyl-3-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-naphthalen-1-ylimidazolidin-4-one (PubChem CID 94846821) has the molecular formula C28H24ClN3O and a molecular weight of 453.97 g/mol. Its IUPAC name is (2S)-1-benzyl-3-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-naphthalen-1-ylimidazolidin-4-one.

Molecular Properties

Compound Name(2S)-1-benzyl-3-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-naphthalen-1-ylimidazolidin-4-one
PubChem CID94846821
Molecular FormulaC28H24ClN3O
Molecular Weight453.97 g/mol
Exact Mass453.16
IUPAC Name(2S)-1-benzyl-3-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-naphthalen-1-ylimidazolidin-4-one
SMILESC/C(=N/N1C(=O)CN(Cc2ccccc2)[C@@H]1c1cccc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C28H24ClN3O/c1-20(22-14-16-24(29)17-15-22)30-32-27(33)19-31(18-21-8-3-2-4-9-21)28(32)26-13-7-11-23-10-5-6-12-25(23)26/h2-17,28H,18-19H2,1H3/b30-20-/t28-/m0/s1
InChIKeyIJHTXBNNBREJBK-ASYBXRLASA-N
XLogP6.26
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.97
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-benzyl-3-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-pyridin-4-ylimidazolidin-4-one
CID 5441923
(2S)-1-benzyl-3-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2,4-dimethoxyphenyl)imidazolidin-4-one
CID 94846835
(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
1-benzyl-2-(4-methoxyphenyl)-3-(1-phenylethylideneamino)imidazolidin-4-one
CID 2859837
4-[(Z)-[(2S)-3-benzyl-2-(4-carboxyphenyl)-5-oxoimidazolidin-1-yl]iminomethyl]benzoic acid
CID 94846815
(2S,5Z)-3-benzyl-5-[1-(4-chlorophenyl)ethylidene]-2-(trifluoromethyl)-1,3-oxazolidine
CID 155929872
(4E)-1-(4-chlorophenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione
CID 108677403
1-benzyl-5-(4-chlorobenzoyl)-5-methylpyrrolidin-2-one
CID 4874097
N-benzyl-N'-[1-(4-chlorophenyl)ethylideneamino]butanediamide
CID 3144325
(4Z)-1-(4-chlorophenyl)-4-[hydroxy(5,6,7,8-tetrahydronaphthalen-2-yl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione
CID 108677392
4-benzyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one
CID 24715820

Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzyl-3-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-naphthalen-1-ylimidazolidin-4-one?
The IUPAC name of (2S)-1-benzyl-3-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-naphthalen-1-ylimidazolidin-4-one (CID 94846821) is (2S)-1-benzyl-3-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-naphthalen-1-ylimidazolidin-4-one.
What is the SMILES notation for (2S)-1-benzyl-3-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-naphthalen-1-ylimidazolidin-4-one?
The canonical SMILES for (2S)-1-benzyl-3-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-naphthalen-1-ylimidazolidin-4-one is C/C(=N/N1C(=O)CN(Cc2ccccc2)[C@@H]1c1cccc2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-1-benzyl-3-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-naphthalen-1-ylimidazolidin-4-one?
The InChIKey is IJHTXBNNBREJBK-ASYBXRLASA-N. The full InChI is InChI=1S/C28H24ClN3O/c1-20(22-14-16-24(29)17-15-22)30-32-27(33)19-31(18-21-8-3-2-4-9-21)28(32)26-13-7-11-23-10-5-6-12-25(23)26/h2-17,28H,18-19H2,1H3/b30-20-/t28-/m0/s1.
What are the key properties of (2S)-1-benzyl-3-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-naphthalen-1-ylimidazolidin-4-one?
(2S)-1-benzyl-3-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-naphthalen-1-ylimidazolidin-4-one has a molecular weight of 453.97 g/mol, XLogP of 6.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzyl-3-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-naphthalen-1-ylimidazolidin-4-one is sourced from PubChem (CID 94846821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).