cyclohexyl-(1-methylimidazol-4-yl)methanone

C11H16N2O — CID 107976351

IUPACcyclohexyl-(1-methylimidazol-4-yl)methanone
SMILESCn1cnc(C(=O)C2CCCCC2)c1
InChIInChI=1S/C11H16N2O/c1-13-7-10(12-8-13)11(14)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3
InChIKeyIBQBDHSHQWPXET-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.18
Rot. Bonds2

About cyclohexyl-(1-methylimidazol-4-yl)methanone

cyclohexyl-(1-methylimidazol-4-yl)methanone (PubChem CID 107976351) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is cyclohexyl-(1-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(1-methylimidazol-4-yl)methanone
PubChem CID107976351
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Namecyclohexyl-(1-methylimidazol-4-yl)methanone
SMILESCn1cnc(C(=O)C2CCCCC2)c1
InChIInChI=1S/C11H16N2O/c1-13-7-10(12-8-13)11(14)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3
InChIKeyIBQBDHSHQWPXET-UHFFFAOYSA-N
XLogP2.18
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Bulbimidazole B
CID 68947449
Bulbimidazole C
CID 156011654
Bulbimidazole A
CID 156011696
1-(1-methyl-1H-imidazol-5-yl)propan-1-one
CID 15128991
Strepimidazole B
CID 156580779
Strepimidazole E
CID 156580780
Strepimidazole D
CID 156580782
Strepimidazole A
CID 156580783
Strepimidazole C
CID 156580784
1-(1,2-Dimethylimidazol-4-yl)-4,4-dimethylpentan-1-one
CID 15882308
(2z)-3-Dimethylamino-2-fluoro-1-(1-cyclohexyl-2-methyl-1h-imidazol-5-yl)prop-2-en-1-one
CID 16665651
5,5-Difluoro-4-methyl-1-(1-methylimidazol-4-yl)pent-4-en-1-one
CID 58962890

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(1-methylimidazol-4-yl)methanone?
The IUPAC name of cyclohexyl-(1-methylimidazol-4-yl)methanone (CID 107976351) is cyclohexyl-(1-methylimidazol-4-yl)methanone.
What is the SMILES notation for cyclohexyl-(1-methylimidazol-4-yl)methanone?
The canonical SMILES for cyclohexyl-(1-methylimidazol-4-yl)methanone is Cn1cnc(C(=O)C2CCCCC2)c1.
What is the InChIKey of cyclohexyl-(1-methylimidazol-4-yl)methanone?
The InChIKey is IBQBDHSHQWPXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-13-7-10(12-8-13)11(14)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3.
What are the key properties of cyclohexyl-(1-methylimidazol-4-yl)methanone?
cyclohexyl-(1-methylimidazol-4-yl)methanone has a molecular weight of 192.26 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(1-methylimidazol-4-yl)methanone is sourced from PubChem (CID 107976351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).