1-[(2S)-butan-2-yl]-3-cyclohexylimidazolidine-2,4,5-trione

C13H20N2O3 — CID 2058501

IUPAC1-[(2S)-butan-2-yl]-3-cyclohexylimidazolidine-2,4,5-trione
SMILESCC[C@H](C)N1C(=O)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C13H20N2O3/c1-3-9(2)14-11(16)12(17)15(13(14)18)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyNKRWEHRJGRRCHY-VIFPVBQESA-N
MW252.31 g/mol
LogP1.91
Rot. Bonds3

About 1-[(2S)-butan-2-yl]-3-cyclohexylimidazolidine-2,4,5-trione

1-[(2S)-butan-2-yl]-3-cyclohexylimidazolidine-2,4,5-trione (PubChem CID 2058501) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[(2S)-butan-2-yl]-3-cyclohexylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(2S)-butan-2-yl]-3-cyclohexylimidazolidine-2,4,5-trione
PubChem CID2058501
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-[(2S)-butan-2-yl]-3-cyclohexylimidazolidine-2,4,5-trione
SMILESCC[C@H](C)N1C(=O)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C13H20N2O3/c1-3-9(2)14-11(16)12(17)15(13(14)18)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyNKRWEHRJGRRCHY-VIFPVBQESA-N
XLogP1.91
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-[(2R)-butan-2-yl]-3-cyclohexylimidazolidine-2,4-dione
CID 71829300
2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid
CID 122148902
(5S)-5-[(2R)-butan-2-yl]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one
CID 801254
1-butan-2-yl-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione
CID 43638288
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 2438857
7-cyclohexyl-18-[1-[2-(18-cyclohexyl-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl)propoxy]propan-2-yl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 89394219
(5Z)-3-butan-2-yl-5-[(1-cyclopentylpyrrol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 50854525
1,3-dicyclohexyl-1,3-diazepane-2,4,7-trione
CID 101192207
3,4-dichloro-1-cyclohexylpyrrole-2,5-dione
CID 729254
1-(1-butan-2-ylazetidin-3-yl)pyrrolidine-2,5-dione
CID 121183854
1,3-dicyclohexyl-5-methylidene-1,3-diazinane-2,4-dione
CID 10589598
(9aR)-2-butan-2-yl-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 146394692

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-butan-2-yl]-3-cyclohexylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[(2S)-butan-2-yl]-3-cyclohexylimidazolidine-2,4,5-trione (CID 2058501) is 1-[(2S)-butan-2-yl]-3-cyclohexylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(2S)-butan-2-yl]-3-cyclohexylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(2S)-butan-2-yl]-3-cyclohexylimidazolidine-2,4,5-trione is CC[C@H](C)N1C(=O)C(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 1-[(2S)-butan-2-yl]-3-cyclohexylimidazolidine-2,4,5-trione?
The InChIKey is NKRWEHRJGRRCHY-VIFPVBQESA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-9(2)14-11(16)12(17)15(13(14)18)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of 1-[(2S)-butan-2-yl]-3-cyclohexylimidazolidine-2,4,5-trione?
1-[(2S)-butan-2-yl]-3-cyclohexylimidazolidine-2,4,5-trione has a molecular weight of 252.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-butan-2-yl]-3-cyclohexylimidazolidine-2,4,5-trione is sourced from PubChem (CID 2058501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).