5-benzylidene-3-phenyl-2-propyliminoimidazolidin-4-one

C19H19N3O — CID 135526655

IUPAC5-benzylidene-3-phenyl-2-propyliminoimidazolidin-4-one
SMILESCCC/N=C1\NC(=Cc2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C19H19N3O/c1-2-13-20-19-21-17(14-15-9-5-3-6-10-15)18(23)22(19)16-11-7-4-8-12-16/h3-12,14H,2,13H2,1H3,(H,20,21)
InChIKeyPBNBUTYOONCRFG-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.43
Rot. Bonds4

About 5-benzylidene-3-phenyl-2-propyliminoimidazolidin-4-one

5-benzylidene-3-phenyl-2-propyliminoimidazolidin-4-one (PubChem CID 135526655) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-benzylidene-3-phenyl-2-propyliminoimidazolidin-4-one.

Molecular Properties

Compound Name5-benzylidene-3-phenyl-2-propyliminoimidazolidin-4-one
PubChem CID135526655
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name5-benzylidene-3-phenyl-2-propyliminoimidazolidin-4-one
SMILESCCC/N=C1\NC(=Cc2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C19H19N3O/c1-2-13-20-19-21-17(14-15-9-5-3-6-10-15)18(23)22(19)16-11-7-4-8-12-16/h3-12,14H,2,13H2,1H3,(H,20,21)
InChIKeyPBNBUTYOONCRFG-UHFFFAOYSA-N
XLogP3.43
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-benzylidene-3-(4-chlorophenyl)-2-propyliminoimidazolidin-4-one
CID 135432495
5-benzylidene-2-pentylimino-3-phenylimidazolidin-4-one
CID 135454509
(5Z)-5-benzylidene-3-(4-chlorophenyl)-2-pentyliminoimidazolidin-4-one
CID 135418617
(5Z)-5-(furan-2-ylmethylidene)-3-phenyl-2-propyliminoimidazolidin-4-one
CID 135418631
(5E)-5-benzylidene-2-benzylimino-3-(4-methylphenyl)imidazolidin-4-one
CID 136911485
(5Z)-5-benzylidene-3-(4-methylphenyl)-2-propan-2-yliminoimidazolidin-4-one
CID 135418626
3-phenyl-5-[(4-phenylphenyl)methylidene]imidazolidine-2,4-dione
CID 2928322
5-[(4-hydroxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 4599781
5-[(4-butan-2-yloxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 2929418
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 2133161
5-[(3,5-dichloro-4-ethoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 4272376
(5E)-3-phenyl-5-[(4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
CID 2177673

Frequently Asked Questions

What is the IUPAC name of 5-benzylidene-3-phenyl-2-propyliminoimidazolidin-4-one?
The IUPAC name of 5-benzylidene-3-phenyl-2-propyliminoimidazolidin-4-one (CID 135526655) is 5-benzylidene-3-phenyl-2-propyliminoimidazolidin-4-one.
What is the SMILES notation for 5-benzylidene-3-phenyl-2-propyliminoimidazolidin-4-one?
The canonical SMILES for 5-benzylidene-3-phenyl-2-propyliminoimidazolidin-4-one is CCC/N=C1\NC(=Cc2ccccc2)C(=O)N1c1ccccc1.
What is the InChIKey of 5-benzylidene-3-phenyl-2-propyliminoimidazolidin-4-one?
The InChIKey is PBNBUTYOONCRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-2-13-20-19-21-17(14-15-9-5-3-6-10-15)18(23)22(19)16-11-7-4-8-12-16/h3-12,14H,2,13H2,1H3,(H,20,21).
What are the key properties of 5-benzylidene-3-phenyl-2-propyliminoimidazolidin-4-one?
5-benzylidene-3-phenyl-2-propyliminoimidazolidin-4-one has a molecular weight of 305.38 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylidene-3-phenyl-2-propyliminoimidazolidin-4-one is sourced from PubChem (CID 135526655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).