(2R)-1-benzyl-3-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-pyridin-4-ylimidazolidin-4-one

C23H21ClN4O — CID 5441923

IUPAC(2R)-1-benzyl-3-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-pyridin-4-ylimidazolidin-4-one
SMILESC/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H21ClN4O/c1-17(19-7-9-21(24)10-8-19)26-28-22(29)16-27(15-18-5-3-2-4-6-18)23(28)20-11-13-25-14-12-20/h2-14,23H,15-16H2,1H3/b26-17+/t23-/m1/s1
InChIKeyYMGCXYXRPGGKIE-NWJFTTBMSA-N
MW404.90 g/mol
LogP4.50
Rot. Bonds5

About (2R)-1-benzyl-3-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-pyridin-4-ylimidazolidin-4-one

(2R)-1-benzyl-3-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-pyridin-4-ylimidazolidin-4-one (PubChem CID 5441923) has the molecular formula C23H21ClN4O and a molecular weight of 404.90 g/mol. Its IUPAC name is (2R)-1-benzyl-3-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-pyridin-4-ylimidazolidin-4-one.

Molecular Properties

Compound Name(2R)-1-benzyl-3-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-pyridin-4-ylimidazolidin-4-one
PubChem CID5441923
Molecular FormulaC23H21ClN4O
Molecular Weight404.90 g/mol
Exact Mass404.14
IUPAC Name(2R)-1-benzyl-3-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-pyridin-4-ylimidazolidin-4-one
SMILESC/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H21ClN4O/c1-17(19-7-9-21(24)10-8-19)26-28-22(29)16-27(15-18-5-3-2-4-6-18)23(28)20-11-13-25-14-12-20/h2-14,23H,15-16H2,1H3/b26-17+/t23-/m1/s1
InChIKeyYMGCXYXRPGGKIE-NWJFTTBMSA-N
XLogP4.50
TPSA48.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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
(2S)-1-benzyl-3-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-naphthalen-1-ylimidazolidin-4-one
CID 94846821
(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
(2S)-1-benzyl-3-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2,4-dimethoxyphenyl)imidazolidin-4-one
CID 94846835
1-benzyl-4-[(4-chlorophenyl)-hydroxymethylidene]-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 3379652
1-benzyl-3-[(4-chlorophenyl)methyl]-2-phenylimidazolidine
CID 101217631
(2S)-1-benzyl-2-(3,4-dichlorophenyl)-3-(1-phenylethenylamino)imidazolidin-4-one
CID 2257108
methyl 4-(1,3-dibenzyl-1,3-diazinan-2-yl)benzoate
CID 992690
(2S,5Z)-3-benzyl-5-[1-(4-chlorophenyl)ethylidene]-2-(trifluoromethyl)-1,3-oxazolidine
CID 155929872
1-benzyl-5-(4-chlorobenzoyl)-5-methylpyrrolidin-2-one
CID 4874097
(4Z)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione
CID 108578298

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-3-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-pyridin-4-ylimidazolidin-4-one?
The IUPAC name of (2R)-1-benzyl-3-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-pyridin-4-ylimidazolidin-4-one (CID 5441923) is (2R)-1-benzyl-3-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-pyridin-4-ylimidazolidin-4-one.
What is the SMILES notation for (2R)-1-benzyl-3-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-pyridin-4-ylimidazolidin-4-one?
The canonical SMILES for (2R)-1-benzyl-3-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-pyridin-4-ylimidazolidin-4-one is C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccncc1)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-1-benzyl-3-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-pyridin-4-ylimidazolidin-4-one?
The InChIKey is YMGCXYXRPGGKIE-NWJFTTBMSA-N. The full InChI is InChI=1S/C23H21ClN4O/c1-17(19-7-9-21(24)10-8-19)26-28-22(29)16-27(15-18-5-3-2-4-6-18)23(28)20-11-13-25-14-12-20/h2-14,23H,15-16H2,1H3/b26-17+/t23-/m1/s1.
What are the key properties of (2R)-1-benzyl-3-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-pyridin-4-ylimidazolidin-4-one?
(2R)-1-benzyl-3-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-pyridin-4-ylimidazolidin-4-one has a molecular weight of 404.90 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-3-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-pyridin-4-ylimidazolidin-4-one is sourced from PubChem (CID 5441923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).