1-(3-cyclohexylimidazol-4-yl)propan-2-one

C12H18N2O — CID 83882909

IUPAC1-(3-cyclohexylimidazol-4-yl)propan-2-one
SMILESCC(=O)Cc1cncn1C1CCCCC1
InChIInChI=1S/C12H18N2O/c1-10(15)7-12-8-13-9-14(12)11-5-3-2-4-6-11/h8-9,11H,2-7H2,1H3
InChIKeyMNJKWVVNHQQFTR-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.52
Rot. Bonds3

About 1-(3-cyclohexylimidazol-4-yl)propan-2-one

1-(3-cyclohexylimidazol-4-yl)propan-2-one (PubChem CID 83882909) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(3-cyclohexylimidazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(3-cyclohexylimidazol-4-yl)propan-2-one
PubChem CID83882909
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(3-cyclohexylimidazol-4-yl)propan-2-one
SMILESCC(=O)Cc1cncn1C1CCCCC1
InChIInChI=1S/C12H18N2O/c1-10(15)7-12-8-13-9-14(12)11-5-3-2-4-6-11/h8-9,11H,2-7H2,1H3
InChIKeyMNJKWVVNHQQFTR-UHFFFAOYSA-N
XLogP2.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(chloromethyl)-1-cyclohexylimidazole;hydrochloride
CID 53398878
1-[1-[(3-cyclopropylimidazol-4-yl)methyl]azepan-2-yl]propan-2-one
CID 79559770
2-(3-cyclooctylimidazol-4-yl)ethanamine
CID 114716513
3-(3-cyclohexylimidazol-4-yl)propan-1-amine
CID 83883482
methyl 3-cyclohexylimidazole-4-carboxylate
CID 14497626
N-[(3-cycloheptylimidazol-4-yl)methyl]-2-methylpropan-1-amine
CID 66147142
3-cyclopentylimidazole-4-carboxylic acid
CID 83875408
1-[(3-cyclopropylimidazol-4-yl)methyl]azepane-2-carboxylic acid
CID 66141272
2-(3-cyclopentylimidazol-4-yl)propanoic acid
CID 83883850
methyl 2-[(3-cyclopropylimidazol-4-yl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 66153111
2-(3-cyclobutylimidazol-4-yl)ethanamine
CID 83873401
[3-(4-methylcyclohexyl)imidazol-4-yl]methanol
CID 66150398

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylimidazol-4-yl)propan-2-one?
The IUPAC name of 1-(3-cyclohexylimidazol-4-yl)propan-2-one (CID 83882909) is 1-(3-cyclohexylimidazol-4-yl)propan-2-one.
What is the SMILES notation for 1-(3-cyclohexylimidazol-4-yl)propan-2-one?
The canonical SMILES for 1-(3-cyclohexylimidazol-4-yl)propan-2-one is CC(=O)Cc1cncn1C1CCCCC1.
What is the InChIKey of 1-(3-cyclohexylimidazol-4-yl)propan-2-one?
The InChIKey is MNJKWVVNHQQFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10(15)7-12-8-13-9-14(12)11-5-3-2-4-6-11/h8-9,11H,2-7H2,1H3.
What are the key properties of 1-(3-cyclohexylimidazol-4-yl)propan-2-one?
1-(3-cyclohexylimidazol-4-yl)propan-2-one has a molecular weight of 206.29 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylimidazol-4-yl)propan-2-one is sourced from PubChem (CID 83882909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).