1-benzyl-2-(4-methoxyphenyl)-3-(1-phenylethylideneamino)imidazolidin-4-one

C25H25N3O2 — CID 2859837

IUPAC1-benzyl-2-(4-methoxyphenyl)-3-(1-phenylethylideneamino)imidazolidin-4-one
SMILESCOc1ccc(C2N(Cc3ccccc3)CC(=O)N2N=C(C)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O2/c1-19(21-11-7-4-8-12-21)26-28-24(29)18-27(17-20-9-5-3-6-10-20)25(28)22-13-15-23(30-2)16-14-22/h3-16,25H,17-18H2,1-2H3
InChIKeyFOWLYWQEJKGHDY-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.46
Rot. Bonds6

About 1-benzyl-2-(4-methoxyphenyl)-3-(1-phenylethylideneamino)imidazolidin-4-one

1-benzyl-2-(4-methoxyphenyl)-3-(1-phenylethylideneamino)imidazolidin-4-one (PubChem CID 2859837) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 1-benzyl-2-(4-methoxyphenyl)-3-(1-phenylethylideneamino)imidazolidin-4-one.

Molecular Properties

Compound Name1-benzyl-2-(4-methoxyphenyl)-3-(1-phenylethylideneamino)imidazolidin-4-one
PubChem CID2859837
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name1-benzyl-2-(4-methoxyphenyl)-3-(1-phenylethylideneamino)imidazolidin-4-one
SMILESCOc1ccc(C2N(Cc3ccccc3)CC(=O)N2N=C(C)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O2/c1-19(21-11-7-4-8-12-21)26-28-24(29)18-27(17-20-9-5-3-6-10-20)25(28)22-13-15-23(30-2)16-14-22/h3-16,25H,17-18H2,1-2H3
InChIKeyFOWLYWQEJKGHDY-UHFFFAOYSA-N
XLogP4.46
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.46
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-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
(2S)-1-benzyl-3-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-naphthalen-1-ylimidazolidin-4-one
CID 94846821
(Z)-N-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)ethanimine
CID 5413986
1-benzyl-2-(4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]imidazolidine
CID 101217629
(2R)-1-benzyl-2-(4-methoxyphenyl)piperazine
CID 99906556
1-benzyl-2-(4-methoxyphenyl)piperidin-4-ol;hydrochloride
CID 158556619
(4S,5R)-1-benzyl-4-hydroxy-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 134850808
(4aS,7aS)-1-[(4-methoxyphenyl)methyl]-6,6-dioxo-4-phenyl-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin-3-one
CID 100891038
1-benzyl-4-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 134347577
(3R,4S)-1-benzyl-4-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 134347611
(3R,4R)-1-benzyl-4-(4-methoxyphenyl)piperidin-3-ol
CID 118207526

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(4-methoxyphenyl)-3-(1-phenylethylideneamino)imidazolidin-4-one?
The IUPAC name of 1-benzyl-2-(4-methoxyphenyl)-3-(1-phenylethylideneamino)imidazolidin-4-one (CID 2859837) is 1-benzyl-2-(4-methoxyphenyl)-3-(1-phenylethylideneamino)imidazolidin-4-one.
What is the SMILES notation for 1-benzyl-2-(4-methoxyphenyl)-3-(1-phenylethylideneamino)imidazolidin-4-one?
The canonical SMILES for 1-benzyl-2-(4-methoxyphenyl)-3-(1-phenylethylideneamino)imidazolidin-4-one is COc1ccc(C2N(Cc3ccccc3)CC(=O)N2N=C(C)c2ccccc2)cc1.
What is the InChIKey of 1-benzyl-2-(4-methoxyphenyl)-3-(1-phenylethylideneamino)imidazolidin-4-one?
The InChIKey is FOWLYWQEJKGHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-19(21-11-7-4-8-12-21)26-28-24(29)18-27(17-20-9-5-3-6-10-20)25(28)22-13-15-23(30-2)16-14-22/h3-16,25H,17-18H2,1-2H3.
What are the key properties of 1-benzyl-2-(4-methoxyphenyl)-3-(1-phenylethylideneamino)imidazolidin-4-one?
1-benzyl-2-(4-methoxyphenyl)-3-(1-phenylethylideneamino)imidazolidin-4-one has a molecular weight of 399.49 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(4-methoxyphenyl)-3-(1-phenylethylideneamino)imidazolidin-4-one is sourced from PubChem (CID 2859837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).