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

C17H21ClN2O2 — CID 155555575

IUPAC(5S)-3-(4-chlorophenyl)-1-(cyclohexylmethyl)-5-methylimidazolidine-2,4-dione
SMILESC[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1CC1CCCCC1
InChIInChI=1S/C17H21ClN2O2/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/h7-10,12-13H,2-6,11H2,1H3/t12-/m0/s1
InChIKeyHGJIQAITFMUGOA-LBPRGKRZSA-N
MW320.82 g/mol
LogP4.08
Rot. Bonds3

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

(5S)-3-(4-chlorophenyl)-1-(cyclohexylmethyl)-5-methylimidazolidine-2,4-dione (PubChem CID 155555575) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is (5S)-3-(4-chlorophenyl)-1-(cyclohexylmethyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-(4-chlorophenyl)-1-(cyclohexylmethyl)-5-methylimidazolidine-2,4-dione
PubChem CID155555575
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC Name(5S)-3-(4-chlorophenyl)-1-(cyclohexylmethyl)-5-methylimidazolidine-2,4-dione
SMILESC[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1CC1CCCCC1
InChIInChI=1S/C17H21ClN2O2/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/h7-10,12-13H,2-6,11H2,1H3/t12-/m0/s1
InChIKeyHGJIQAITFMUGOA-LBPRGKRZSA-N
XLogP4.08
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(4-chlorophenyl)-1-(cyclohexylmethyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-(4-chlorophenyl)-1-(cyclohexylmethyl)-5-methylimidazolidine-2,4-dione (CID 155555575) is (5S)-3-(4-chlorophenyl)-1-(cyclohexylmethyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-(4-chlorophenyl)-1-(cyclohexylmethyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-(4-chlorophenyl)-1-(cyclohexylmethyl)-5-methylimidazolidine-2,4-dione is C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1CC1CCCCC1.
What is the InChIKey of (5S)-3-(4-chlorophenyl)-1-(cyclohexylmethyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is HGJIQAITFMUGOA-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21ClN2O2/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/h7-10,12-13H,2-6,11H2,1H3/t12-/m0/s1.
What are the key properties of (5S)-3-(4-chlorophenyl)-1-(cyclohexylmethyl)-5-methylimidazolidine-2,4-dione?
(5S)-3-(4-chlorophenyl)-1-(cyclohexylmethyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 320.82 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(4-chlorophenyl)-1-(cyclohexylmethyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 155555575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).