1-[[benzhydryl(methyl)amino]methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione

C22H25N3O3 — CID 18149967

IUPAC1-[[benzhydryl(methyl)amino]methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
SMILESCC(C)CN1C(=O)C(=O)N(CN(C)C(c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C22H25N3O3/c1-16(2)14-24-20(26)21(27)25(22(24)28)15-23(3)19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16,19H,14-15H2,1-3H3
InChIKeyFUBHYDCFYVSBLT-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.11
Rot. Bonds7

About 1-[[benzhydryl(methyl)amino]methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione

1-[[benzhydryl(methyl)amino]methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione (PubChem CID 18149967) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-[[benzhydryl(methyl)amino]methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[[benzhydryl(methyl)amino]methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
PubChem CID18149967
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name1-[[benzhydryl(methyl)amino]methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
SMILESCC(C)CN1C(=O)C(=O)N(CN(C)C(c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C22H25N3O3/c1-16(2)14-24-20(26)21(27)25(22(24)28)15-23(3)19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16,19H,14-15H2,1-3H3
InChIKeyFUBHYDCFYVSBLT-UHFFFAOYSA-N
XLogP3.11
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethotoin
CID 3292
1-(4-Benzhydrylpiperazin-1-yl)ethanone
CID 885644
1-Benzylimidazolidine-2,4,5-trione
CID 562619
2-(2,5-Dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 2107999
2,4-Imidazolidinedione, 3-(phenylmethyl)-
CID 231959
(5S)-3-Benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 40633600
3-Methyl-5,5-diphenylimidazolidine-2,4-dione
CID 77899
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(diphenylmethyl)pyrrolidine-2-carboxamide
CID 11317764
(2S)-1-[(2S)-2-[(2S)-2-aminobutanamido]-3-methylbutanoyl]-N-(diphenylmethyl)pyrrolidine-2-carboxamide
CID 11351754
3-Benzyl-2,5-dioxo-4,4-dimethylimidazolidine
CID 4601988
Acetamide, N-(alpha-cyclohexylbenzyl)-2-(diethylamino)-
CID 209457
1-Pyrrolidineacetamide, N-(diphenylmethyl)-
CID 216501

Frequently Asked Questions

What is the IUPAC name of 1-[[benzhydryl(methyl)amino]methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-[[benzhydryl(methyl)amino]methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione (CID 18149967) is 1-[[benzhydryl(methyl)amino]methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[[benzhydryl(methyl)amino]methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[[benzhydryl(methyl)amino]methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione is CC(C)CN1C(=O)C(=O)N(CN(C)C(c2ccccc2)c2ccccc2)C1=O.
What is the InChIKey of 1-[[benzhydryl(methyl)amino]methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione?
The InChIKey is FUBHYDCFYVSBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-16(2)14-24-20(26)21(27)25(22(24)28)15-23(3)19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16,19H,14-15H2,1-3H3.
What are the key properties of 1-[[benzhydryl(methyl)amino]methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione?
1-[[benzhydryl(methyl)amino]methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione has a molecular weight of 379.46 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[benzhydryl(methyl)amino]methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 18149967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).