5-butyl-3-cyclohexyl-1H-imidazol-2-one

C13H22N2O — CID 18384804

IUPAC5-butyl-3-cyclohexyl-1H-imidazol-2-one
SMILESCCCCc1cn(C2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C13H22N2O/c1-2-3-7-11-10-15(13(16)14-11)12-8-5-4-6-9-12/h10,12H,2-9H2,1H3,(H,14,16)
InChIKeyMGXIZNVJTQYIPT-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.02
Rot. Bonds4

About 5-butyl-3-cyclohexyl-1H-imidazol-2-one

5-butyl-3-cyclohexyl-1H-imidazol-2-one (PubChem CID 18384804) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 5-butyl-3-cyclohexyl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-butyl-3-cyclohexyl-1H-imidazol-2-one
PubChem CID18384804
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name5-butyl-3-cyclohexyl-1H-imidazol-2-one
SMILESCCCCc1cn(C2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C13H22N2O/c1-2-3-7-11-10-15(13(16)14-11)12-8-5-4-6-9-12/h10,12H,2-9H2,1H3,(H,14,16)
InChIKeyMGXIZNVJTQYIPT-UHFFFAOYSA-N
XLogP3.02
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-cyclohexyl-1H-imidazol-2-one?
The IUPAC name of 5-butyl-3-cyclohexyl-1H-imidazol-2-one (CID 18384804) is 5-butyl-3-cyclohexyl-1H-imidazol-2-one.
What is the SMILES notation for 5-butyl-3-cyclohexyl-1H-imidazol-2-one?
The canonical SMILES for 5-butyl-3-cyclohexyl-1H-imidazol-2-one is CCCCc1cn(C2CCCCC2)c(=O)[nH]1.
What is the InChIKey of 5-butyl-3-cyclohexyl-1H-imidazol-2-one?
The InChIKey is MGXIZNVJTQYIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-3-7-11-10-15(13(16)14-11)12-8-5-4-6-9-12/h10,12H,2-9H2,1H3,(H,14,16).
What are the key properties of 5-butyl-3-cyclohexyl-1H-imidazol-2-one?
5-butyl-3-cyclohexyl-1H-imidazol-2-one has a molecular weight of 222.33 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-cyclohexyl-1H-imidazol-2-one is sourced from PubChem (CID 18384804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).