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

C17H22N2O2 — CID 155548312

IUPAC(5S)-1-benzyl-3-cyclohexyl-5-methylimidazolidine-2,4-dione
SMILESC[C@H]1C(=O)N(C2CCCCC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H22N2O2/c1-13-16(20)19(15-10-6-3-7-11-15)17(21)18(13)12-14-8-4-2-5-9-14/h2,4-5,8-9,13,15H,3,6-7,10-12H2,1H3/t13-/m0/s1
InChIKeyZMDJIJCMILVKFE-ZDUSSCGKSA-N
MW286.37 g/mol
LogP3.17
Rot. Bonds3

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

(5S)-1-benzyl-3-cyclohexyl-5-methylimidazolidine-2,4-dione (PubChem CID 155548312) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is (5S)-1-benzyl-3-cyclohexyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-1-benzyl-3-cyclohexyl-5-methylimidazolidine-2,4-dione
PubChem CID155548312
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name(5S)-1-benzyl-3-cyclohexyl-5-methylimidazolidine-2,4-dione
SMILESC[C@H]1C(=O)N(C2CCCCC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H22N2O2/c1-13-16(20)19(15-10-6-3-7-11-15)17(21)18(13)12-14-8-4-2-5-9-14/h2,4-5,8-9,13,15H,3,6-7,10-12H2,1H3/t13-/m0/s1
InChIKeyZMDJIJCMILVKFE-ZDUSSCGKSA-N
XLogP3.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.17
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)-1-benzyl-3-cyclohexyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-1-benzyl-3-cyclohexyl-5-methylimidazolidine-2,4-dione (CID 155548312) is (5S)-1-benzyl-3-cyclohexyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-1-benzyl-3-cyclohexyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-1-benzyl-3-cyclohexyl-5-methylimidazolidine-2,4-dione is C[C@H]1C(=O)N(C2CCCCC2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (5S)-1-benzyl-3-cyclohexyl-5-methylimidazolidine-2,4-dione?
The InChIKey is ZMDJIJCMILVKFE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13-16(20)19(15-10-6-3-7-11-15)17(21)18(13)12-14-8-4-2-5-9-14/h2,4-5,8-9,13,15H,3,6-7,10-12H2,1H3/t13-/m0/s1.
What are the key properties of (5S)-1-benzyl-3-cyclohexyl-5-methylimidazolidine-2,4-dione?
(5S)-1-benzyl-3-cyclohexyl-5-methylimidazolidine-2,4-dione has a molecular weight of 286.37 g/mol, XLogP of 3.17, 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-cyclohexyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 155548312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).