3-(benzylideneamino)-5-phenylimidazolidine-2,4-dione

C16H13N3O2 — CID 155292912

IUPAC3-(benzylideneamino)-5-phenylimidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)C(=O)N1N=Cc1ccccc1
InChIInChI=1S/C16H13N3O2/c20-15-14(13-9-5-2-6-10-13)18-16(21)19(15)17-11-12-7-3-1-4-8-12/h1-11,14H,(H,18,21)
InChIKeyNCBBNJDZGHYDCS-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.31
Rot. Bonds3

About 3-(benzylideneamino)-5-phenylimidazolidine-2,4-dione

3-(benzylideneamino)-5-phenylimidazolidine-2,4-dione (PubChem CID 155292912) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-(benzylideneamino)-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(benzylideneamino)-5-phenylimidazolidine-2,4-dione
PubChem CID155292912
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name3-(benzylideneamino)-5-phenylimidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)C(=O)N1N=Cc1ccccc1
InChIInChI=1S/C16H13N3O2/c20-15-14(13-9-5-2-6-10-13)18-16(21)19(15)17-11-12-7-3-1-4-8-12/h1-11,14H,(H,18,21)
InChIKeyNCBBNJDZGHYDCS-UHFFFAOYSA-N
XLogP2.31
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Benzyl-5-phenylimidazolidine-2,4-dione
CID 9860116
1-Benzyl-5-phenylimidazolidine-2,4-dione
CID 15353259
N-[(E)-benzylideneamino]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 127033115
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide
CID 127033116
5-Phenyl-3-aminohydantoin
CID 22137735
2-(2,6-difluorobenzyl)-6-phenyl-1,2,4-triazine-3,5-(2H)-dione
CID 22313051
3-Amino-5-(2-fluorophenyl)imidazolidine-2,4-dione
CID 69767903
3-Amino-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 69768175
5-Phenyl-3-(2-phenylethyl)imidazolidine-2,4-dione
CID 135033673
3-[(4-Methylbenzylidene)amino]-5-propylimidazolidine-2,4-dione
CID 155292888
3-[(4-Methylbenzylidene)amino]-5-(4-methylphenyl)-imidazolidine-2,4-dione
CID 155292934
3-[(4-Ethylbenzylidene)amino]-5-(4-ethylphenyl)-imidazolidine-2,4-dione
CID 155292969

Frequently Asked Questions

What is the IUPAC name of 3-(benzylideneamino)-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-(benzylideneamino)-5-phenylimidazolidine-2,4-dione (CID 155292912) is 3-(benzylideneamino)-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(benzylideneamino)-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-(benzylideneamino)-5-phenylimidazolidine-2,4-dione is O=C1NC(c2ccccc2)C(=O)N1N=Cc1ccccc1.
What is the InChIKey of 3-(benzylideneamino)-5-phenylimidazolidine-2,4-dione?
The InChIKey is NCBBNJDZGHYDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-15-14(13-9-5-2-6-10-13)18-16(21)19(15)17-11-12-7-3-1-4-8-12/h1-11,14H,(H,18,21).
What are the key properties of 3-(benzylideneamino)-5-phenylimidazolidine-2,4-dione?
3-(benzylideneamino)-5-phenylimidazolidine-2,4-dione has a molecular weight of 279.30 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylideneamino)-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 155292912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).