5-benzylidene-2-pentylimino-3-phenylimidazolidin-4-one

C21H23N3O — CID 135454509

IUPAC5-benzylidene-2-pentylimino-3-phenylimidazolidin-4-one
SMILESCCCCC/N=C1\NC(=Cc2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C21H23N3O/c1-2-3-10-15-22-21-23-19(16-17-11-6-4-7-12-17)20(25)24(21)18-13-8-5-9-14-18/h4-9,11-14,16H,2-3,10,15H2,1H3,(H,22,23)
InChIKeyRCCAHLUNSPWWFD-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.21
Rot. Bonds6

About 5-benzylidene-2-pentylimino-3-phenylimidazolidin-4-one

5-benzylidene-2-pentylimino-3-phenylimidazolidin-4-one (PubChem CID 135454509) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 5-benzylidene-2-pentylimino-3-phenylimidazolidin-4-one.

Molecular Properties

Compound Name5-benzylidene-2-pentylimino-3-phenylimidazolidin-4-one
PubChem CID135454509
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name5-benzylidene-2-pentylimino-3-phenylimidazolidin-4-one
SMILESCCCCC/N=C1\NC(=Cc2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C21H23N3O/c1-2-3-10-15-22-21-23-19(16-17-11-6-4-7-12-17)20(25)24(21)18-13-8-5-9-14-18/h4-9,11-14,16H,2-3,10,15H2,1H3,(H,22,23)
InChIKeyRCCAHLUNSPWWFD-UHFFFAOYSA-N
XLogP4.21
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-pentyliminoimidazolidin-4-one
CID 135418617
5-benzylidene-3-phenyl-2-propyliminoimidazolidin-4-one
CID 135526655
(5Z)-5-benzylidene-3-(4-chlorophenyl)-2-propyliminoimidazolidin-4-one
CID 135432495
(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
4-hydroxy-5,5-dimethyl-3-(octyliminomethyl)-1-phenylpyrrol-2-one
CID 135784136

Frequently Asked Questions

What is the IUPAC name of 5-benzylidene-2-pentylimino-3-phenylimidazolidin-4-one?
The IUPAC name of 5-benzylidene-2-pentylimino-3-phenylimidazolidin-4-one (CID 135454509) is 5-benzylidene-2-pentylimino-3-phenylimidazolidin-4-one.
What is the SMILES notation for 5-benzylidene-2-pentylimino-3-phenylimidazolidin-4-one?
The canonical SMILES for 5-benzylidene-2-pentylimino-3-phenylimidazolidin-4-one is CCCCC/N=C1\NC(=Cc2ccccc2)C(=O)N1c1ccccc1.
What is the InChIKey of 5-benzylidene-2-pentylimino-3-phenylimidazolidin-4-one?
The InChIKey is RCCAHLUNSPWWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-2-3-10-15-22-21-23-19(16-17-11-6-4-7-12-17)20(25)24(21)18-13-8-5-9-14-18/h4-9,11-14,16H,2-3,10,15H2,1H3,(H,22,23).
What are the key properties of 5-benzylidene-2-pentylimino-3-phenylimidazolidin-4-one?
5-benzylidene-2-pentylimino-3-phenylimidazolidin-4-one has a molecular weight of 333.44 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylidene-2-pentylimino-3-phenylimidazolidin-4-one is sourced from PubChem (CID 135454509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).