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

C10H8Cl2N2O2 — CID 25223546

IUPAC(5S)-5-benzyl-1,3-dichloroimidazolidine-2,4-dione
SMILESO=C1[C@H](Cc2ccccc2)N(Cl)C(=O)N1Cl
InChIInChI=1S/C10H8Cl2N2O2/c11-13-8(9(15)14(12)10(13)16)6-7-4-2-1-3-5-7/h1-5,8H,6H2/t8-/m0/s1
InChIKeyZRLYAQVCJNRJKV-QMMMGPOBSA-N
MW259.09 g/mol
LogP2.17
Rot. Bonds2

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

(5S)-5-benzyl-1,3-dichloroimidazolidine-2,4-dione (PubChem CID 25223546) has the molecular formula C10H8Cl2N2O2 and a molecular weight of 259.09 g/mol. Its IUPAC name is (5S)-5-benzyl-1,3-dichloroimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-benzyl-1,3-dichloroimidazolidine-2,4-dione
PubChem CID25223546
Molecular FormulaC10H8Cl2N2O2
Molecular Weight259.09 g/mol
Exact Mass258.00
IUPAC Name(5S)-5-benzyl-1,3-dichloroimidazolidine-2,4-dione
SMILESO=C1[C@H](Cc2ccccc2)N(Cl)C(=O)N1Cl
InChIInChI=1S/C10H8Cl2N2O2/c11-13-8(9(15)14(12)10(13)16)6-7-4-2-1-3-5-7/h1-5,8H,6H2/t8-/m0/s1
InChIKeyZRLYAQVCJNRJKV-QMMMGPOBSA-N
XLogP2.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-benzyl-1-methyl-3-phenylimidazolidine-2,4-dione
CID 12790757
1,4-diacetyl-3,6-dibenzylpiperazine-2,5-dione
CID 4680633
6-benzyl-1,4-dimethylpiperazine-2,3,5-trione
CID 13416223
(4S)-3,4-dibenzyl-1,3-oxazolidine-2,5-dione
CID 170762067
(3S,6S)-3,6-dibenzyl-1,4-bis[(1S)-1-phenylethyl]piperazine-2,5-dione
CID 11730822
5-benzyl-1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazolidine-2,4-dione
CID 119035519
(5S)-5-benzyl-1-methylimidazolidine-2,4-dione
CID 165148051
5-amino-2-benzyl-6-bromo-4-chloro-1,2-dihydropyrazin-3-one
CID 170984065
(3S)-2,3-dibenzyl-1,1-dioxo-1,2-thiazolidin-4-one
CID 53240197
5-benzyl-2,4-dioxoimidazolidine-1-carboxamide
CID 70583178
(5S)-1,5-dibenzyl-2-phenylimidazolidin-4-one
CID 12013114
(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

Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-1,3-dichloroimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-benzyl-1,3-dichloroimidazolidine-2,4-dione (CID 25223546) is (5S)-5-benzyl-1,3-dichloroimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-benzyl-1,3-dichloroimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-benzyl-1,3-dichloroimidazolidine-2,4-dione is O=C1[C@H](Cc2ccccc2)N(Cl)C(=O)N1Cl.
What is the InChIKey of (5S)-5-benzyl-1,3-dichloroimidazolidine-2,4-dione?
The InChIKey is ZRLYAQVCJNRJKV-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H8Cl2N2O2/c11-13-8(9(15)14(12)10(13)16)6-7-4-2-1-3-5-7/h1-5,8H,6H2/t8-/m0/s1.
What are the key properties of (5S)-5-benzyl-1,3-dichloroimidazolidine-2,4-dione?
(5S)-5-benzyl-1,3-dichloroimidazolidine-2,4-dione has a molecular weight of 259.09 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-1,3-dichloroimidazolidine-2,4-dione is sourced from PubChem (CID 25223546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).