(5S)-3-[[benzyl(methyl)amino]methyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione

C26H27N3O2 — CID 9193036

IUPAC(5S)-3-[[benzyl(methyl)amino]methyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione
SMILESCc1ccc([C@]2(c3ccccc3)NC(=O)N(CN(C)Cc3ccccc3)C2=O)cc1C
InChIInChI=1S/C26H27N3O2/c1-19-14-15-23(16-20(19)2)26(22-12-8-5-9-13-22)24(30)29(25(31)27-26)18-28(3)17-21-10-6-4-7-11-21/h4-16H,17-18H2,1-3H3,(H,27,31)/t26-/m0/s1
InChIKeyIUVPAMCBLDUBPN-SANMLTNESA-N
MW413.52 g/mol
LogP4.19
Rot. Bonds6

About (5S)-3-[[benzyl(methyl)amino]methyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione

(5S)-3-[[benzyl(methyl)amino]methyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione (PubChem CID 9193036) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is (5S)-3-[[benzyl(methyl)amino]methyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[[benzyl(methyl)amino]methyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione
PubChem CID9193036
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name(5S)-3-[[benzyl(methyl)amino]methyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione
SMILESCc1ccc([C@]2(c3ccccc3)NC(=O)N(CN(C)Cc3ccccc3)C2=O)cc1C
InChIInChI=1S/C26H27N3O2/c1-19-14-15-23(16-20(19)2)26(22-12-8-5-9-13-22)24(30)29(25(31)27-26)18-28(3)17-21-10-6-4-7-11-21/h4-16H,17-18H2,1-3H3,(H,27,31)/t26-/m0/s1
InChIKeyIUVPAMCBLDUBPN-SANMLTNESA-N
XLogP4.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-[[benzyl(methyl)amino]methyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[[benzyl(methyl)amino]methyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione (CID 9193036) is (5S)-3-[[benzyl(methyl)amino]methyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[[benzyl(methyl)amino]methyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[[benzyl(methyl)amino]methyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione is Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CN(C)Cc3ccccc3)C2=O)cc1C.
What is the InChIKey of (5S)-3-[[benzyl(methyl)amino]methyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione?
The InChIKey is IUVPAMCBLDUBPN-SANMLTNESA-N. The full InChI is InChI=1S/C26H27N3O2/c1-19-14-15-23(16-20(19)2)26(22-12-8-5-9-13-22)24(30)29(25(31)27-26)18-28(3)17-21-10-6-4-7-11-21/h4-16H,17-18H2,1-3H3,(H,27,31)/t26-/m0/s1.
What are the key properties of (5S)-3-[[benzyl(methyl)amino]methyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione?
(5S)-3-[[benzyl(methyl)amino]methyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione has a molecular weight of 413.52 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[[benzyl(methyl)amino]methyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 9193036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).