2-(1H-imidazol-2-yl)cyclohexan-1-one

C9H12N2O — CID 19908894

IUPAC2-(1H-imidazol-2-yl)cyclohexan-1-one
SMILESO=C1CCCCC1c1ncc[nH]1
InChIInChI=1S/C9H12N2O/c12-8-4-2-1-3-7(8)9-10-5-6-11-9/h5-7H,1-4H2,(H,10,11)
InChIKeyDXSNBNQPESMZHW-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.64
Rot. Bonds1

About 2-(1H-imidazol-2-yl)cyclohexan-1-one

2-(1H-imidazol-2-yl)cyclohexan-1-one (PubChem CID 19908894) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)cyclohexan-1-one
PubChem CID19908894
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-(1H-imidazol-2-yl)cyclohexan-1-one
SMILESO=C1CCCCC1c1ncc[nH]1
InChIInChI=1S/C9H12N2O/c12-8-4-2-1-3-7(8)9-10-5-6-11-9/h5-7H,1-4H2,(H,10,11)
InChIKeyDXSNBNQPESMZHW-UHFFFAOYSA-N
XLogP1.64
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Cyclohexyl-1H-imidazole
CID 11159405
1-(1h-Imidazol-2-yl)-hexan-1-one
CID 10374793
2-cyclopropanecarbonyl-1H-imidazole
CID 22669357
3-(1-methyl-1H-imidazol-2-yl)cyclohexan-1-one
CID 64521900
3-(1H-imidazol-2-yl)cyclobutan-1-one hydrochloride
CID 136574229
Palmitoylimidazole
CID 17939380
4-(1H-Imidazol-2-yl)cyclohexanamine
CID 45120658
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-(1H-imidazol-2-yl)-2-methyldecan-1-one
CID 88444890
(3,3-difluorocyclobutyl)-(1H-imidazol-2-yl)methanone
CID 164859105
1-(1H-imidazol-2-yl)pentan-1-one
CID 549416
Cyclobutyl(1H-imidazol-2-yl) ketone
CID 549422
1H-Imidazole, 2-octanoyl-
CID 573498

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)cyclohexan-1-one?
The IUPAC name of 2-(1H-imidazol-2-yl)cyclohexan-1-one (CID 19908894) is 2-(1H-imidazol-2-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(1H-imidazol-2-yl)cyclohexan-1-one?
The canonical SMILES for 2-(1H-imidazol-2-yl)cyclohexan-1-one is O=C1CCCCC1c1ncc[nH]1.
What is the InChIKey of 2-(1H-imidazol-2-yl)cyclohexan-1-one?
The InChIKey is DXSNBNQPESMZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c12-8-4-2-1-3-7(8)9-10-5-6-11-9/h5-7H,1-4H2,(H,10,11).
What are the key properties of 2-(1H-imidazol-2-yl)cyclohexan-1-one?
2-(1H-imidazol-2-yl)cyclohexan-1-one has a molecular weight of 164.21 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)cyclohexan-1-one is sourced from PubChem (CID 19908894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).