(2S)-1-benzyl-2-(4-methylphenyl)-3-[(Z)-1-phenylethylideneamino]imidazolidin-4-one

C25H25N3O — CID 5456799

IUPAC(2S)-1-benzyl-2-(4-methylphenyl)-3-[(Z)-1-phenylethylideneamino]imidazolidin-4-one
SMILESC/C(=N/N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C25H25N3O/c1-19-13-15-23(16-14-19)25-27(17-21-9-5-3-6-10-21)18-24(29)28(25)26-20(2)22-11-7-4-8-12-22/h3-16,25H,17-18H2,1-2H3/b26-20-/t25-/m0/s1
InChIKeyPVTQCPABXCSJTP-QXPVHIISSA-N
MW383.50 g/mol
LogP4.76
Rot. Bonds5

About (2S)-1-benzyl-2-(4-methylphenyl)-3-[(Z)-1-phenylethylideneamino]imidazolidin-4-one

(2S)-1-benzyl-2-(4-methylphenyl)-3-[(Z)-1-phenylethylideneamino]imidazolidin-4-one (PubChem CID 5456799) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is (2S)-1-benzyl-2-(4-methylphenyl)-3-[(Z)-1-phenylethylideneamino]imidazolidin-4-one.

Molecular Properties

Compound Name(2S)-1-benzyl-2-(4-methylphenyl)-3-[(Z)-1-phenylethylideneamino]imidazolidin-4-one
PubChem CID5456799
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name(2S)-1-benzyl-2-(4-methylphenyl)-3-[(Z)-1-phenylethylideneamino]imidazolidin-4-one
SMILESC/C(=N/N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C25H25N3O/c1-19-13-15-23(16-14-19)25-27(17-21-9-5-3-6-10-21)18-24(29)28(25)26-20(2)22-11-7-4-8-12-22/h3-16,25H,17-18H2,1-2H3/b26-20-/t25-/m0/s1
InChIKeyPVTQCPABXCSJTP-QXPVHIISSA-N
XLogP4.76
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.76
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-2-phenyl-3-(1-phenylethylideneamino)imidazolidin-4-one
CID 129440112
1-benzyl-2-(4-methoxyphenyl)-3-(1-phenylethylideneamino)imidazolidin-4-one
CID 2859837
(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-naphthalen-1-ylimidazolidin-4-one
CID 94846821
(2S)-1-benzyl-3-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2,4-dimethoxyphenyl)imidazolidin-4-one
CID 94846835
4-[(Z)-[(2S)-3-benzyl-2-(4-carboxyphenyl)-5-oxoimidazolidin-1-yl]iminomethyl]benzoic acid
CID 94846815
1-benzyl-2-(4-methylphenyl)-2,3-dihydropyridin-4-one
CID 10956806
1-benzyl-3-hydroxy-4-(4-methylphenyl)azetidin-2-one
CID 91824522
(2S)-1-benzyl-2-(3,4-dichlorophenyl)-3-(1-phenylethenylamino)imidazolidin-4-one
CID 2257108
3-benzoyl-1-benzyl-2-tert-butylimidazolidin-4-one
CID 570264
1-benzyl-3-(4-methylphenyl)imidazolidine-2,4-dione
CID 164659301
3-acetyl-1-benzyl-4-hydroxy-2-(4-methylphenyl)-2H-pyrrol-5-one
CID 22725660

Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzyl-2-(4-methylphenyl)-3-[(Z)-1-phenylethylideneamino]imidazolidin-4-one?
The IUPAC name of (2S)-1-benzyl-2-(4-methylphenyl)-3-[(Z)-1-phenylethylideneamino]imidazolidin-4-one (CID 5456799) is (2S)-1-benzyl-2-(4-methylphenyl)-3-[(Z)-1-phenylethylideneamino]imidazolidin-4-one.
What is the SMILES notation for (2S)-1-benzyl-2-(4-methylphenyl)-3-[(Z)-1-phenylethylideneamino]imidazolidin-4-one?
The canonical SMILES for (2S)-1-benzyl-2-(4-methylphenyl)-3-[(Z)-1-phenylethylideneamino]imidazolidin-4-one is C/C(=N/N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of (2S)-1-benzyl-2-(4-methylphenyl)-3-[(Z)-1-phenylethylideneamino]imidazolidin-4-one?
The InChIKey is PVTQCPABXCSJTP-QXPVHIISSA-N. The full InChI is InChI=1S/C25H25N3O/c1-19-13-15-23(16-14-19)25-27(17-21-9-5-3-6-10-21)18-24(29)28(25)26-20(2)22-11-7-4-8-12-22/h3-16,25H,17-18H2,1-2H3/b26-20-/t25-/m0/s1.
What are the key properties of (2S)-1-benzyl-2-(4-methylphenyl)-3-[(Z)-1-phenylethylideneamino]imidazolidin-4-one?
(2S)-1-benzyl-2-(4-methylphenyl)-3-[(Z)-1-phenylethylideneamino]imidazolidin-4-one has a molecular weight of 383.50 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzyl-2-(4-methylphenyl)-3-[(Z)-1-phenylethylideneamino]imidazolidin-4-one is sourced from PubChem (CID 5456799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).