4-(2-acetylphenyl)-2-cyclohexyl-1H-imidazole-5-carbaldehyde

C18H20N2O2 — CID 155354592

IUPAC4-(2-acetylphenyl)-2-cyclohexyl-1H-imidazole-5-carbaldehyde
SMILESCC(=O)c1ccccc1-c1nc(C2CCCCC2)[nH]c1C=O
InChIInChI=1S/C18H20N2O2/c1-12(22)14-9-5-6-10-15(14)17-16(11-21)19-18(20-17)13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,19,20)
InChIKeySARHHHWSIJOGQY-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.14
Rot. Bonds4

About 4-(2-acetylphenyl)-2-cyclohexyl-1H-imidazole-5-carbaldehyde

4-(2-acetylphenyl)-2-cyclohexyl-1H-imidazole-5-carbaldehyde (PubChem CID 155354592) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-(2-acetylphenyl)-2-cyclohexyl-1H-imidazole-5-carbaldehyde.

Molecular Properties

Compound Name4-(2-acetylphenyl)-2-cyclohexyl-1H-imidazole-5-carbaldehyde
PubChem CID155354592
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name4-(2-acetylphenyl)-2-cyclohexyl-1H-imidazole-5-carbaldehyde
SMILESCC(=O)c1ccccc1-c1nc(C2CCCCC2)[nH]c1C=O
InChIInChI=1S/C18H20N2O2/c1-12(22)14-9-5-6-10-15(14)17-16(11-21)19-18(20-17)13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,19,20)
InChIKeySARHHHWSIJOGQY-UHFFFAOYSA-N
XLogP4.14
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-acetylphenyl)-2-cyclohexyl-1H-imidazole-5-carbaldehyde?
The IUPAC name of 4-(2-acetylphenyl)-2-cyclohexyl-1H-imidazole-5-carbaldehyde (CID 155354592) is 4-(2-acetylphenyl)-2-cyclohexyl-1H-imidazole-5-carbaldehyde.
What is the SMILES notation for 4-(2-acetylphenyl)-2-cyclohexyl-1H-imidazole-5-carbaldehyde?
The canonical SMILES for 4-(2-acetylphenyl)-2-cyclohexyl-1H-imidazole-5-carbaldehyde is CC(=O)c1ccccc1-c1nc(C2CCCCC2)[nH]c1C=O.
What is the InChIKey of 4-(2-acetylphenyl)-2-cyclohexyl-1H-imidazole-5-carbaldehyde?
The InChIKey is SARHHHWSIJOGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12(22)14-9-5-6-10-15(14)17-16(11-21)19-18(20-17)13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,19,20).
What are the key properties of 4-(2-acetylphenyl)-2-cyclohexyl-1H-imidazole-5-carbaldehyde?
4-(2-acetylphenyl)-2-cyclohexyl-1H-imidazole-5-carbaldehyde has a molecular weight of 296.37 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetylphenyl)-2-cyclohexyl-1H-imidazole-5-carbaldehyde is sourced from PubChem (CID 155354592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).