(5S)-1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione

C17H15ClN2O2 — CID 97046899

IUPAC(5S)-1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
SMILESC[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H15ClN2O2/c1-12-16(21)20(15-9-7-14(18)8-10-15)17(22)19(12)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3/t12-/m0/s1
InChIKeyGHAJNZREWTZYQJ-LBPRGKRZSA-N
MW314.77 g/mol
LogP3.70
Rot. Bonds3

About (5S)-1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione

(5S)-1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 97046899) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is (5S)-1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID97046899
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name(5S)-1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
SMILESC[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H15ClN2O2/c1-12-16(21)20(15-9-7-14(18)8-10-15)17(22)19(12)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3/t12-/m0/s1
InChIKeyGHAJNZREWTZYQJ-LBPRGKRZSA-N
XLogP3.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.70
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

(5S)-1-benzyl-5-methyl-3-(4-methylphenyl)imidazolidine-2,4-dione
CID 156703225
(5S)-1-benzyl-3-(4-hydroxyphenyl)-5-methylimidazolidine-2,4-dione
CID 156703188
4-[[(5S)-3-(4-chlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 156703195
methyl 4-[(4S)-3-benzyl-4-methyl-2,5-dioxoimidazolidin-1-yl]benzoate
CID 156703245
(5S)-3-(4-chlorophenyl)-5-methyl-1-phenylimidazolidine-2,4-dione
CID 154708544
(4S)-3-benzyl-1-(4-chlorophenyl)-4-methylimidazolidin-2-one
CID 155554983
1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione;ethyl (2R)-1-(4-methylphenyl)sulfonyl-4-(4-methylphenyl)sulfonyloxypyrrolidine-2-carboxylate
CID 131716959
4-benzyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one
CID 24715820
2-[3-[3-benzyl-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]-N-hydroxybutanamide
CID 175797157
(4aR,7aS)-1-benzyl-3-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidine-2,4-dione
CID 10853143
(5R)-1-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 101259421
1-benzyl-3-(4-chlorophenyl)-1,3-diazinane-2,4-dione
CID 10734075

Frequently Asked Questions

What is the IUPAC name of (5S)-1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione (CID 97046899) is (5S)-1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione is C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (5S)-1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is GHAJNZREWTZYQJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-12-16(21)20(15-9-7-14(18)8-10-15)17(22)19(12)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3/t12-/m0/s1.
What are the key properties of (5S)-1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione?
(5S)-1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 314.77 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-benzyl-3-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 97046899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).