1-(1-cyclohexylimidazol-4-yl)-2-methylpropan-1-one

C13H20N2O — CID 83889565

IUPAC1-(1-cyclohexylimidazol-4-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cn(C2CCCCC2)cn1
InChIInChI=1S/C13H20N2O/c1-10(2)13(16)12-8-15(9-14-12)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3
InChIKeyCGCJXVIVTPNNKV-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.23
Rot. Bonds3

About 1-(1-cyclohexylimidazol-4-yl)-2-methylpropan-1-one

1-(1-cyclohexylimidazol-4-yl)-2-methylpropan-1-one (PubChem CID 83889565) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(1-cyclohexylimidazol-4-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(1-cyclohexylimidazol-4-yl)-2-methylpropan-1-one
PubChem CID83889565
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(1-cyclohexylimidazol-4-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cn(C2CCCCC2)cn1
InChIInChI=1S/C13H20N2O/c1-10(2)13(16)12-8-15(9-14-12)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3
InChIKeyCGCJXVIVTPNNKV-UHFFFAOYSA-N
XLogP3.23
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylimidazol-4-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(1-cyclohexylimidazol-4-yl)-2-methylpropan-1-one (CID 83889565) is 1-(1-cyclohexylimidazol-4-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(1-cyclohexylimidazol-4-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(1-cyclohexylimidazol-4-yl)-2-methylpropan-1-one is CC(C)C(=O)c1cn(C2CCCCC2)cn1.
What is the InChIKey of 1-(1-cyclohexylimidazol-4-yl)-2-methylpropan-1-one?
The InChIKey is CGCJXVIVTPNNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)13(16)12-8-15(9-14-12)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3.
What are the key properties of 1-(1-cyclohexylimidazol-4-yl)-2-methylpropan-1-one?
1-(1-cyclohexylimidazol-4-yl)-2-methylpropan-1-one has a molecular weight of 220.32 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylimidazol-4-yl)-2-methylpropan-1-one is sourced from PubChem (CID 83889565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).