3-[[benzhydryl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione

C22H25N3O2 — CID 42937052

IUPAC3-[[benzhydryl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
SMILESCN(CN1C(=O)NC(C)(C2CC2)C1=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25N3O2/c1-22(18-13-14-18)20(26)25(21(27)23-22)15-24(2)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18-19H,13-15H2,1-2H3,(H,23,27)
InChIKeyISTXHKVGFLDZDJ-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.39
Rot. Bonds6

About 3-[[benzhydryl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione

3-[[benzhydryl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione (PubChem CID 42937052) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-[[benzhydryl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[benzhydryl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
PubChem CID42937052
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-[[benzhydryl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
SMILESCN(CN1C(=O)NC(C)(C2CC2)C1=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25N3O2/c1-22(18-13-14-18)20(26)25(21(27)23-22)15-24(2)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18-19H,13-15H2,1-2H3,(H,23,27)
InChIKeyISTXHKVGFLDZDJ-UHFFFAOYSA-N
XLogP3.39
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-[[benzyl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 9184509
3-[[benzhydryl(methyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18149953
(5S)-3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 9193268
(5S)-3-[[cyclohexyl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 41411892
3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 26005418
3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 24542027
(5S,6R)-3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 124838172
2-[[benzhydryl(methyl)amino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 24623458
5-cyclopropyl-5-methyl-3-(2-phenylsulfanylpropyl)imidazolidine-2,4-dione
CID 86783072
3-[2-[benzhydryl(methyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 35429502
(3aR,7aR)-2-[[benzhydryl(methyl)amino]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 124838444
N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-phenylacetamide
CID 78790776

Frequently Asked Questions

What is the IUPAC name of 3-[[benzhydryl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[[benzhydryl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione (CID 42937052) is 3-[[benzhydryl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[benzhydryl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[benzhydryl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione is CN(CN1C(=O)NC(C)(C2CC2)C1=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[[benzhydryl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
The InChIKey is ISTXHKVGFLDZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-22(18-13-14-18)20(26)25(21(27)23-22)15-24(2)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18-19H,13-15H2,1-2H3,(H,23,27).
What are the key properties of 3-[[benzhydryl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
3-[[benzhydryl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione has a molecular weight of 363.46 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzhydryl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 42937052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).