1-[(2-benzylphenyl)methyl]-3-[2,6-di(propan-2-yl)phenyl]-5,5-dimethylimidazolidine-2,4-dione

C31H36N2O2 — CID 58257286

IUPAC1-[(2-benzylphenyl)methyl]-3-[2,6-di(propan-2-yl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC(C)c1cccc(C(C)C)c1N1C(=O)N(Cc2ccccc2Cc2ccccc2)C(C)(C)C1=O
InChIInChI=1S/C31H36N2O2/c1-21(2)26-17-12-18-27(22(3)4)28(26)33-29(34)31(5,6)32(30(33)35)20-25-16-11-10-15-24(25)19-23-13-8-7-9-14-23/h7-18,21-22H,19-20H2,1-6H3
InChIKeyYRPDFZKYKBYQJF-UHFFFAOYSA-N
MW468.64 g/mol
LogP7.27
Rot. Bonds7

About 1-[(2-benzylphenyl)methyl]-3-[2,6-di(propan-2-yl)phenyl]-5,5-dimethylimidazolidine-2,4-dione

1-[(2-benzylphenyl)methyl]-3-[2,6-di(propan-2-yl)phenyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 58257286) has the molecular formula C31H36N2O2 and a molecular weight of 468.64 g/mol. Its IUPAC name is 1-[(2-benzylphenyl)methyl]-3-[2,6-di(propan-2-yl)phenyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(2-benzylphenyl)methyl]-3-[2,6-di(propan-2-yl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID58257286
Molecular FormulaC31H36N2O2
Molecular Weight468.64 g/mol
Exact Mass468.28
IUPAC Name1-[(2-benzylphenyl)methyl]-3-[2,6-di(propan-2-yl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC(C)c1cccc(C(C)C)c1N1C(=O)N(Cc2ccccc2Cc2ccccc2)C(C)(C)C1=O
InChIInChI=1S/C31H36N2O2/c1-21(2)26-17-12-18-27(22(3)4)28(26)33-29(34)31(5,6)32(30(33)35)20-25-16-11-10-15-24(25)19-23-13-8-7-9-14-23/h7-18,21-22H,19-20H2,1-6H3
InChIKeyYRPDFZKYKBYQJF-UHFFFAOYSA-N
XLogP7.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.64
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-benzylphenyl)methyl]-3-[2,6-di(propan-2-yl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1-[(2-benzylphenyl)methyl]-3-[2,6-di(propan-2-yl)phenyl]-5,5-dimethylimidazolidine-2,4-dione (CID 58257286) is 1-[(2-benzylphenyl)methyl]-3-[2,6-di(propan-2-yl)phenyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[(2-benzylphenyl)methyl]-3-[2,6-di(propan-2-yl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1-[(2-benzylphenyl)methyl]-3-[2,6-di(propan-2-yl)phenyl]-5,5-dimethylimidazolidine-2,4-dione is CC(C)c1cccc(C(C)C)c1N1C(=O)N(Cc2ccccc2Cc2ccccc2)C(C)(C)C1=O.
What is the InChIKey of 1-[(2-benzylphenyl)methyl]-3-[2,6-di(propan-2-yl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is YRPDFZKYKBYQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N2O2/c1-21(2)26-17-12-18-27(22(3)4)28(26)33-29(34)31(5,6)32(30(33)35)20-25-16-11-10-15-24(25)19-23-13-8-7-9-14-23/h7-18,21-22H,19-20H2,1-6H3.
What are the key properties of 1-[(2-benzylphenyl)methyl]-3-[2,6-di(propan-2-yl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?
1-[(2-benzylphenyl)methyl]-3-[2,6-di(propan-2-yl)phenyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 468.64 g/mol, XLogP of 7.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-benzylphenyl)methyl]-3-[2,6-di(propan-2-yl)phenyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 58257286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).