2-(4-cyclohexylimidazol-1-yl)acetaldehyde

C11H16N2O — CID 82402620

IUPAC2-(4-cyclohexylimidazol-1-yl)acetaldehyde
SMILESO=CCn1cnc(C2CCCCC2)c1
InChIInChI=1S/C11H16N2O/c14-7-6-13-8-11(12-9-13)10-4-2-1-3-5-10/h7-10H,1-6H2
InChIKeyUWXJYQPWOFJJQI-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.13
Rot. Bonds3

About 2-(4-cyclohexylimidazol-1-yl)acetaldehyde

2-(4-cyclohexylimidazol-1-yl)acetaldehyde (PubChem CID 82402620) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(4-cyclohexylimidazol-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-cyclohexylimidazol-1-yl)acetaldehyde
PubChem CID82402620
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-(4-cyclohexylimidazol-1-yl)acetaldehyde
SMILESO=CCn1cnc(C2CCCCC2)c1
InChIInChI=1S/C11H16N2O/c14-7-6-13-8-11(12-9-13)10-4-2-1-3-5-10/h7-10H,1-6H2
InChIKeyUWXJYQPWOFJJQI-UHFFFAOYSA-N
XLogP2.13
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-cyclopentylimidazol-1-yl)propan-2-amine
CID 82401687
4-cyclohexyl-1-propan-2-ylimidazole
CID 140925380
1-(4-cyclohexyltriazol-1-yl)-3,3-dimethylbutan-2-one
CID 140927533
3-cyclohexyl-1-methylpyrazole-5-carbaldehyde
CID 83818200
6-cyclopentylpyridine-3-carbaldehyde
CID 83816590
1,4-dicyclohexyltriazole
CID 46204135
4-cyclooctylbenzaldehyde
CID 12923818
4-cycloheptylbenzaldehyde
CID 21484445
5-cyclohexyl-1-methylpyrazole-3-carbaldehyde
CID 83818201
4-chloro-1-(cyclohexylmethyl)imidazole
CID 56616752
2-cyclopentylpyrimidine-5-carbaldehyde
CID 58228458
4-(5-carbamoylcyclooctyl)imidazole-1-carboxylic acid
CID 70528649

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylimidazol-1-yl)acetaldehyde?
The IUPAC name of 2-(4-cyclohexylimidazol-1-yl)acetaldehyde (CID 82402620) is 2-(4-cyclohexylimidazol-1-yl)acetaldehyde.
What is the SMILES notation for 2-(4-cyclohexylimidazol-1-yl)acetaldehyde?
The canonical SMILES for 2-(4-cyclohexylimidazol-1-yl)acetaldehyde is O=CCn1cnc(C2CCCCC2)c1.
What is the InChIKey of 2-(4-cyclohexylimidazol-1-yl)acetaldehyde?
The InChIKey is UWXJYQPWOFJJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c14-7-6-13-8-11(12-9-13)10-4-2-1-3-5-10/h7-10H,1-6H2.
What are the key properties of 2-(4-cyclohexylimidazol-1-yl)acetaldehyde?
2-(4-cyclohexylimidazol-1-yl)acetaldehyde has a molecular weight of 192.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylimidazol-1-yl)acetaldehyde is sourced from PubChem (CID 82402620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).