(4S)-2-butyl-4-cyclohexyl-4-ethyl-1H-imidazol-5-one

C15H26N2O — CID 67737238

IUPAC(4S)-2-butyl-4-cyclohexyl-4-ethyl-1H-imidazol-5-one
SMILESCCCCC1=N[C@@](CC)(C2CCCCC2)C(=O)N1
InChIInChI=1S/C15H26N2O/c1-3-5-11-13-16-14(18)15(4-2,17-13)12-9-7-6-8-10-12/h12H,3-11H2,1-2H3,(H,16,17,18)/t15-/m0/s1
InChIKeyQUSAYFXUSZAVOA-HNNXBMFYSA-N
MW250.39 g/mol
LogP3.43
Rot. Bonds5

About (4S)-2-butyl-4-cyclohexyl-4-ethyl-1H-imidazol-5-one

(4S)-2-butyl-4-cyclohexyl-4-ethyl-1H-imidazol-5-one (PubChem CID 67737238) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is (4S)-2-butyl-4-cyclohexyl-4-ethyl-1H-imidazol-5-one.

Molecular Properties

Compound Name(4S)-2-butyl-4-cyclohexyl-4-ethyl-1H-imidazol-5-one
PubChem CID67737238
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name(4S)-2-butyl-4-cyclohexyl-4-ethyl-1H-imidazol-5-one
SMILESCCCCC1=N[C@@](CC)(C2CCCCC2)C(=O)N1
InChIInChI=1S/C15H26N2O/c1-3-5-11-13-16-14(18)15(4-2,17-13)12-9-7-6-8-10-12/h12H,3-11H2,1-2H3,(H,16,17,18)/t15-/m0/s1
InChIKeyQUSAYFXUSZAVOA-HNNXBMFYSA-N
XLogP3.43
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-2-butyl-4-cyclohexyl-4-ethyl-1H-imidazol-5-one with MolForge

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Related Compounds

5-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione
CID 121408698
2-butyl-4-methyl-4-phenyl-1H-imidazol-5-one;hydrochloride
CID 21466586
(5R)-5-cyclohexyl-5-ethylimidazolidine-2,4-dione
CID 92532345
2-butylsulfanyl-2-cyclohexyl-4,5-diethylimidazole
CID 54324823
sodium 5-cyclopentyl-5-ethyl-4,6-dioxo-1H-pyrimidin-2-olate
CID 137321551
3,6-dibutyl-4-cyclohexylcyclohexa-3,5-diene-1,2-dione
CID 69498466
2-[4-[(2-butyl-4-cyclohexyl-4-ethyl-5-oxoimidazol-1-yl)methyl]phenyl]benzoic acid;2,2,2-trifluoroacetic acid
CID 19422628
benzyl 2-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 170353572
8a-ethyl-3,4,4a,5,6,7-hexahydro-2H-naphthalene-1,8-dione
CID 586685
5-cyclohexyl-5-ethyl-1,3-dioxane-4,6-dione
CID 118947222
2,5-dibutyl-4,5-dihydro-1H-imidazole
CID 88688688
1-butyl-1-cycloheptylcycloheptane
CID 140610618

Frequently Asked Questions

What is the IUPAC name of (4S)-2-butyl-4-cyclohexyl-4-ethyl-1H-imidazol-5-one?
The IUPAC name of (4S)-2-butyl-4-cyclohexyl-4-ethyl-1H-imidazol-5-one (CID 67737238) is (4S)-2-butyl-4-cyclohexyl-4-ethyl-1H-imidazol-5-one.
What is the SMILES notation for (4S)-2-butyl-4-cyclohexyl-4-ethyl-1H-imidazol-5-one?
The canonical SMILES for (4S)-2-butyl-4-cyclohexyl-4-ethyl-1H-imidazol-5-one is CCCCC1=N[C@@](CC)(C2CCCCC2)C(=O)N1.
What is the InChIKey of (4S)-2-butyl-4-cyclohexyl-4-ethyl-1H-imidazol-5-one?
The InChIKey is QUSAYFXUSZAVOA-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-5-11-13-16-14(18)15(4-2,17-13)12-9-7-6-8-10-12/h12H,3-11H2,1-2H3,(H,16,17,18)/t15-/m0/s1.
What are the key properties of (4S)-2-butyl-4-cyclohexyl-4-ethyl-1H-imidazol-5-one?
(4S)-2-butyl-4-cyclohexyl-4-ethyl-1H-imidazol-5-one has a molecular weight of 250.39 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-butyl-4-cyclohexyl-4-ethyl-1H-imidazol-5-one is sourced from PubChem (CID 67737238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).