cyclohexyl(imidazol-1-yl)methanone

C10H14N2O — CID 557953

IUPACcyclohexyl(imidazol-1-yl)methanone
SMILESO=C(C1CCCCC1)n1ccnc1
InChIInChI=1S/C10H14N2O/c13-10(12-7-6-11-8-12)9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyBMXHWWYELMBRDT-UHFFFAOYSA-N
MW178.24 g/mol
LogP2.10
Rot. Bonds1

About cyclohexyl(imidazol-1-yl)methanone

cyclohexyl(imidazol-1-yl)methanone (PubChem CID 557953) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is cyclohexyl(imidazol-1-yl)methanone.

Molecular Properties

Compound Namecyclohexyl(imidazol-1-yl)methanone
PubChem CID557953
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Namecyclohexyl(imidazol-1-yl)methanone
SMILESO=C(C1CCCCC1)n1ccnc1
InChIInChI=1S/C10H14N2O/c13-10(12-7-6-11-8-12)9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyBMXHWWYELMBRDT-UHFFFAOYSA-N
XLogP2.10
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclohexyl(imidazol-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(imidazol-1-yl)methanone?
The IUPAC name of cyclohexyl(imidazol-1-yl)methanone (CID 557953) is cyclohexyl(imidazol-1-yl)methanone.
What is the SMILES notation for cyclohexyl(imidazol-1-yl)methanone?
The canonical SMILES for cyclohexyl(imidazol-1-yl)methanone is O=C(C1CCCCC1)n1ccnc1.
What is the InChIKey of cyclohexyl(imidazol-1-yl)methanone?
The InChIKey is BMXHWWYELMBRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c13-10(12-7-6-11-8-12)9-4-2-1-3-5-9/h6-9H,1-5H2.
What are the key properties of cyclohexyl(imidazol-1-yl)methanone?
cyclohexyl(imidazol-1-yl)methanone has a molecular weight of 178.24 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(imidazol-1-yl)methanone is sourced from PubChem (CID 557953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).