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

C11H12N2O2 — CID 165148051

IUPAC(5S)-5-benzyl-1-methylimidazolidine-2,4-dione
SMILESCN1C(=O)NC(=O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C11H12N2O2/c1-13-9(10(14)12-11(13)15)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,12,14,15)/t9-/m0/s1
InChIKeyWONOKHKXNTZXEW-VIFPVBQESA-N
MW204.23 g/mol
LogP0.78
Rot. Bonds2

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

(5S)-5-benzyl-1-methylimidazolidine-2,4-dione (PubChem CID 165148051) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is (5S)-5-benzyl-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-benzyl-1-methylimidazolidine-2,4-dione
PubChem CID165148051
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name(5S)-5-benzyl-1-methylimidazolidine-2,4-dione
SMILESCN1C(=O)NC(=O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C11H12N2O2/c1-13-9(10(14)12-11(13)15)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,12,14,15)/t9-/m0/s1
InChIKeyWONOKHKXNTZXEW-VIFPVBQESA-N
XLogP0.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z,6S)-6-benzyl-3-benzylidene-1-methylpiperazine-2,5-dione
CID 102507009
5-benzyl-2,4-dioxoimidazolidine-1-carboxamide
CID 70583178
(3S,6S,9R,12S,15S,18R)-3,6,9,12,15,18-hexabenzyl-1,10-dimethyl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
CID 10855003
(5S)-5-benzyl-2,2-dimethyl-1-propylimidazolidin-4-one
CID 101208884
6-benzyl-1,4-dimethylpiperazine-2,3,5-trione
CID 13416223
(4R)-4-benzyl-3-methyl-2-methylidene-1,3-oxazolidin-5-one
CID 158048514
5-[[2-[(benzylamino)methyl]-7-methylquinolin-6-yl]methyl]-1-methylimidazolidine-2,4-dione
CID 143468695
5-benzyl-1-propyl-1,3-diazinane-2,4,6-trione
CID 91699920
5-benzyl-1-methyl-3-phenylimidazolidine-2,4-dione
CID 12790757
3-benzyl-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione
CID 163112973
4-imino-1-methyl-5-(2-phenylethyl)imidazolidin-2-one
CID 138388630
(3S,6S)-6-benzyl-3-(1H-indol-3-ylmethyl)-1-methylpiperazine-2,5-dione
CID 135023125

Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-1-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-benzyl-1-methylimidazolidine-2,4-dione (CID 165148051) is (5S)-5-benzyl-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-benzyl-1-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-benzyl-1-methylimidazolidine-2,4-dione is CN1C(=O)NC(=O)[C@@H]1Cc1ccccc1.
What is the InChIKey of (5S)-5-benzyl-1-methylimidazolidine-2,4-dione?
The InChIKey is WONOKHKXNTZXEW-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12N2O2/c1-13-9(10(14)12-11(13)15)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,12,14,15)/t9-/m0/s1.
What are the key properties of (5S)-5-benzyl-1-methylimidazolidine-2,4-dione?
(5S)-5-benzyl-1-methylimidazolidine-2,4-dione has a molecular weight of 204.23 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 165148051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).