2-butyl-4-cyclohexyl-4-methyl-1H-imidazol-5-one

C14H24N2O — CID 19422621

IUPAC2-butyl-4-cyclohexyl-4-methyl-1H-imidazol-5-one
SMILESCCCCC1=NC(C)(C2CCCCC2)C(=O)N1
InChIInChI=1S/C14H24N2O/c1-3-4-10-12-15-13(17)14(2,16-12)11-8-6-5-7-9-11/h11H,3-10H2,1-2H3,(H,15,16,17)
InChIKeyZUHWCERXKZGVBK-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.04
Rot. Bonds4

About 2-butyl-4-cyclohexyl-4-methyl-1H-imidazol-5-one

2-butyl-4-cyclohexyl-4-methyl-1H-imidazol-5-one (PubChem CID 19422621) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-butyl-4-cyclohexyl-4-methyl-1H-imidazol-5-one.

Molecular Properties

Compound Name2-butyl-4-cyclohexyl-4-methyl-1H-imidazol-5-one
PubChem CID19422621
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-butyl-4-cyclohexyl-4-methyl-1H-imidazol-5-one
SMILESCCCCC1=NC(C)(C2CCCCC2)C(=O)N1
InChIInChI=1S/C14H24N2O/c1-3-4-10-12-15-13(17)14(2,16-12)11-8-6-5-7-9-11/h11H,3-10H2,1-2H3,(H,15,16,17)
InChIKeyZUHWCERXKZGVBK-UHFFFAOYSA-N
XLogP3.04
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Butyl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 10176511
2-[4-(3,3,3-Trifluoropropyl)cyclohexyl]-1,3-diazaspiro[4.5]dec-1-en-4-one
CID 70933298
2-Ethyl-8,8-difluoro-1,3-diazaspiro[4.5]dec-1-en-4-one
CID 126673783
8,8-Difluoro-2-methyl-1,3-diazaspiro[4.5]dec-1-en-4-one
CID 126673886
2-Propyl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 15818745
2-Butyl-1,3-diazaspiro[4.5]dec-1-en-4-one
CID 19379820
2-butyl-4-cyclohexyl-4-ethyl-1H-imidazol-5-one
CID 19422619
2-butyl-4-(cyclohexylmethyl)-4-methyl-1H-imidazol-5-one
CID 19422650
2-Methyl-1,3-diazaspiro[4.5]dec-1-en-4-one
CID 51345879
2-Butan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 54556101
2-(2-Methylpropyl)-1,3-diazaspiro[4.4]non-1-en-4-one
CID 59138292
(4R)-2-butyl-4-(cyclohexylmethyl)-4-methyl-1H-imidazol-5-one
CID 67737205

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-cyclohexyl-4-methyl-1H-imidazol-5-one?
The IUPAC name of 2-butyl-4-cyclohexyl-4-methyl-1H-imidazol-5-one (CID 19422621) is 2-butyl-4-cyclohexyl-4-methyl-1H-imidazol-5-one.
What is the SMILES notation for 2-butyl-4-cyclohexyl-4-methyl-1H-imidazol-5-one?
The canonical SMILES for 2-butyl-4-cyclohexyl-4-methyl-1H-imidazol-5-one is CCCCC1=NC(C)(C2CCCCC2)C(=O)N1.
What is the InChIKey of 2-butyl-4-cyclohexyl-4-methyl-1H-imidazol-5-one?
The InChIKey is ZUHWCERXKZGVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-4-10-12-15-13(17)14(2,16-12)11-8-6-5-7-9-11/h11H,3-10H2,1-2H3,(H,15,16,17).
What are the key properties of 2-butyl-4-cyclohexyl-4-methyl-1H-imidazol-5-one?
2-butyl-4-cyclohexyl-4-methyl-1H-imidazol-5-one has a molecular weight of 236.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-cyclohexyl-4-methyl-1H-imidazol-5-one is sourced from PubChem (CID 19422621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).