cyclohexyl(1H-imidazol-5-yl)methanone

C10H14N2O — CID 565606

IUPACcyclohexyl(1H-imidazol-5-yl)methanone
SMILESO=C(c1cnc[nH]1)C1CCCCC1
InChIInChI=1S/C10H14N2O/c13-10(9-6-11-7-12-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,11,12)
InChIKeyMAZDWXPVAOWFLV-UHFFFAOYSA-N
MW178.24 g/mol
LogP2.17
Rot. Bonds2

About cyclohexyl(1H-imidazol-5-yl)methanone

cyclohexyl(1H-imidazol-5-yl)methanone (PubChem CID 565606) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is cyclohexyl(1H-imidazol-5-yl)methanone.

Molecular Properties

Compound Namecyclohexyl(1H-imidazol-5-yl)methanone
PubChem CID565606
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Namecyclohexyl(1H-imidazol-5-yl)methanone
SMILESO=C(c1cnc[nH]1)C1CCCCC1
InChIInChI=1S/C10H14N2O/c13-10(9-6-11-7-12-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,11,12)
InChIKeyMAZDWXPVAOWFLV-UHFFFAOYSA-N
XLogP2.17
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl(1H-imidazol-5-yl)methanone?
The IUPAC name of cyclohexyl(1H-imidazol-5-yl)methanone (CID 565606) is cyclohexyl(1H-imidazol-5-yl)methanone.
What is the SMILES notation for cyclohexyl(1H-imidazol-5-yl)methanone?
The canonical SMILES for cyclohexyl(1H-imidazol-5-yl)methanone is O=C(c1cnc[nH]1)C1CCCCC1.
What is the InChIKey of cyclohexyl(1H-imidazol-5-yl)methanone?
The InChIKey is MAZDWXPVAOWFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c13-10(9-6-11-7-12-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,11,12).
What are the key properties of cyclohexyl(1H-imidazol-5-yl)methanone?
cyclohexyl(1H-imidazol-5-yl)methanone has a molecular weight of 178.24 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(1H-imidazol-5-yl)methanone is sourced from PubChem (CID 565606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).