1-benzyl-3-(4-methylphenyl)imidazolidine-2,4-dione

C17H16N2O2 — CID 164659301

IUPAC1-benzyl-3-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)CN(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C17H16N2O2/c1-13-7-9-15(10-8-13)19-16(20)12-18(17(19)21)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyBHNQTCLOECYNCF-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.96
Rot. Bonds3

About 1-benzyl-3-(4-methylphenyl)imidazolidine-2,4-dione

1-benzyl-3-(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 164659301) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-benzyl-3-(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-3-(4-methylphenyl)imidazolidine-2,4-dione
PubChem CID164659301
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name1-benzyl-3-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)CN(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C17H16N2O2/c1-13-7-9-15(10-8-13)19-16(20)12-18(17(19)21)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyBHNQTCLOECYNCF-UHFFFAOYSA-N
XLogP2.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylphenyl)-1-(2-methylpropyl)imidazolidine-2,4-dione
CID 63064185
3-(4-methylphenyl)-1-prop-2-ynylimidazolidine-2,4-dione
CID 79286716
1-benzyl-3-(3,5-dimethylphenyl)-1,3-diazinane-2,4-dione
CID 2812716
5-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-N-cyclopropyl-2-methylbenzenesulfonamide
CID 166233908
1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4,6-trione
CID 20607089
1-benzyl-3-(4-chlorophenyl)-1,3-diazinane-2,4-dione
CID 10734075
3-[4-(4-methoxyphenyl)phenyl]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 143398720
(5S)-1-benzyl-5-methyl-3-(4-methylphenyl)imidazolidine-2,4-dione
CID 156703225
3,6-dibenzyl-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole-2,5-dione
CID 15309240
1-(4-chlorophenyl)-3-(4-methylphenyl)imidazolidine-2,4-dione
CID 60837458
(5E)-1-benzyl-5-[(2-methylphenyl)methylidene]-3-phenyl-1,3-diazinane-2,4-dione
CID 102291317
1-[(3-bromophenyl)methyl]-3-pyridin-4-ylimidazolidine-2,4-dione
CID 99836269

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 1-benzyl-3-(4-methylphenyl)imidazolidine-2,4-dione (CID 164659301) is 1-benzyl-3-(4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-benzyl-3-(4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-benzyl-3-(4-methylphenyl)imidazolidine-2,4-dione is Cc1ccc(N2C(=O)CN(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of 1-benzyl-3-(4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is BHNQTCLOECYNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-13-7-9-15(10-8-13)19-16(20)12-18(17(19)21)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3.
What are the key properties of 1-benzyl-3-(4-methylphenyl)imidazolidine-2,4-dione?
1-benzyl-3-(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 280.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 164659301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).