(5S)-5-[(1S,2S)-2-chlorocyclohexyl]imidazolidine-2,4-dione

C9H13ClN2O2 — CID 92843738

IUPAC(5S)-5-[(1S,2S)-2-chlorocyclohexyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H]([C@@H]2CCCC[C@@H]2Cl)N1
InChIInChI=1S/C9H13ClN2O2/c10-6-4-2-1-3-5(6)7-8(13)12-9(14)11-7/h5-7H,1-4H2,(H2,11,12,13,14)/t5-,6+,7+/m1/s1
InChIKeySUOIDRREDUOJAR-VQVTYTSYSA-N
MW216.67 g/mol
LogP0.99
Rot. Bonds1

About (5S)-5-[(1S,2S)-2-chlorocyclohexyl]imidazolidine-2,4-dione

(5S)-5-[(1S,2S)-2-chlorocyclohexyl]imidazolidine-2,4-dione (PubChem CID 92843738) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is (5S)-5-[(1S,2S)-2-chlorocyclohexyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(1S,2S)-2-chlorocyclohexyl]imidazolidine-2,4-dione
PubChem CID92843738
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name(5S)-5-[(1S,2S)-2-chlorocyclohexyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H]([C@@H]2CCCC[C@@H]2Cl)N1
InChIInChI=1S/C9H13ClN2O2/c10-6-4-2-1-3-5(6)7-8(13)12-9(14)11-7/h5-7H,1-4H2,(H2,11,12,13,14)/t5-,6+,7+/m1/s1
InChIKeySUOIDRREDUOJAR-VQVTYTSYSA-N
XLogP0.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 15773209
(4R,5R)-4,5,7,9-tetrahydro-3H-purine-2,6,8-trione
CID 24884185
(5R)-5-[(1R,2S)-2-(diethoxyphosphorylmethyl)cyclohexyl]imidazolidine-2,4-dione
CID 11012998
(5R)-5-[(2S)-pyrrolidin-2-yl]imidazolidine-2,4-dione
CID 66907470
5,6-dichloro-1,3-diazinane-2,4-dione
CID 45035550
(2R)-2-[(4R)-2,5-dioxoimidazolidin-4-yl]pyrrolidine-1-carboxylic acid
CID 68648470
(4R,4aS,8aS)-4-chloro-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one
CID 101163934
1-chloro-2-cyclopentylcycloheptane
CID 63511633
5-[4-(trifluoromethyl)cyclohexyl]imidazolidine-2,4-dione
CID 162362321
5-(2,3-dihydro-1H-inden-2-yl)imidazolidine-2,4-dione
CID 11715491
5-chloro-6-methyl-1,3-diazinane-2,4-dione
CID 45358690
5-(4-ethylcyclohexyl)imidazolidine-2,4-dione;propane
CID 143588727

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(1S,2S)-2-chlorocyclohexyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(1S,2S)-2-chlorocyclohexyl]imidazolidine-2,4-dione (CID 92843738) is (5S)-5-[(1S,2S)-2-chlorocyclohexyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(1S,2S)-2-chlorocyclohexyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(1S,2S)-2-chlorocyclohexyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@H]([C@@H]2CCCC[C@@H]2Cl)N1.
What is the InChIKey of (5S)-5-[(1S,2S)-2-chlorocyclohexyl]imidazolidine-2,4-dione?
The InChIKey is SUOIDRREDUOJAR-VQVTYTSYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c10-6-4-2-1-3-5(6)7-8(13)12-9(14)11-7/h5-7H,1-4H2,(H2,11,12,13,14)/t5-,6+,7+/m1/s1.
What are the key properties of (5S)-5-[(1S,2S)-2-chlorocyclohexyl]imidazolidine-2,4-dione?
(5S)-5-[(1S,2S)-2-chlorocyclohexyl]imidazolidine-2,4-dione has a molecular weight of 216.67 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(1S,2S)-2-chlorocyclohexyl]imidazolidine-2,4-dione is sourced from PubChem (CID 92843738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).