3-cyclohexyl-2-oxo-1H-imidazole-4-carbaldehyde

C10H14N2O2 — CID 82401235

IUPAC3-cyclohexyl-2-oxo-1H-imidazole-4-carbaldehyde
SMILESO=Cc1c[nH]c(=O)n1C1CCCCC1
InChIInChI=1S/C10H14N2O2/c13-7-9-6-11-10(14)12(9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,11,14)
InChIKeyQHEMPMACAQCQDM-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.49
Rot. Bonds2

About 3-cyclohexyl-2-oxo-1H-imidazole-4-carbaldehyde

3-cyclohexyl-2-oxo-1H-imidazole-4-carbaldehyde (PubChem CID 82401235) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-cyclohexyl-2-oxo-1H-imidazole-4-carbaldehyde.

Molecular Properties

Compound Name3-cyclohexyl-2-oxo-1H-imidazole-4-carbaldehyde
PubChem CID82401235
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-cyclohexyl-2-oxo-1H-imidazole-4-carbaldehyde
SMILESO=Cc1c[nH]c(=O)n1C1CCCCC1
InChIInChI=1S/C10H14N2O2/c13-7-9-6-11-10(14)12(9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,11,14)
InChIKeyQHEMPMACAQCQDM-UHFFFAOYSA-N
XLogP1.49
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-oxo-3-propan-2-yl-1H-imidazole-4-carbaldehyde
CID 82416667

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-oxo-1H-imidazole-4-carbaldehyde?
The IUPAC name of 3-cyclohexyl-2-oxo-1H-imidazole-4-carbaldehyde (CID 82401235) is 3-cyclohexyl-2-oxo-1H-imidazole-4-carbaldehyde.
What is the SMILES notation for 3-cyclohexyl-2-oxo-1H-imidazole-4-carbaldehyde?
The canonical SMILES for 3-cyclohexyl-2-oxo-1H-imidazole-4-carbaldehyde is O=Cc1c[nH]c(=O)n1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2-oxo-1H-imidazole-4-carbaldehyde?
The InChIKey is QHEMPMACAQCQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-7-9-6-11-10(14)12(9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,11,14).
What are the key properties of 3-cyclohexyl-2-oxo-1H-imidazole-4-carbaldehyde?
3-cyclohexyl-2-oxo-1H-imidazole-4-carbaldehyde has a molecular weight of 194.23 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-oxo-1H-imidazole-4-carbaldehyde is sourced from PubChem (CID 82401235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).