2-(4-chloro-3-cyclohexylphenyl)-2-imidazol-1-ylacetaldehyde

C17H19ClN2O — CID 88780822

IUPAC2-(4-chloro-3-cyclohexylphenyl)-2-imidazol-1-ylacetaldehyde
SMILESO=CC(c1ccc(Cl)c(C2CCCCC2)c1)n1ccnc1
InChIInChI=1S/C17H19ClN2O/c18-16-7-6-14(17(11-21)20-9-8-19-12-20)10-15(16)13-4-2-1-3-5-13/h6-13,17H,1-5H2
InChIKeyLWLPSASTRFHVIB-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.37
Rot. Bonds4

About 2-(4-chloro-3-cyclohexylphenyl)-2-imidazol-1-ylacetaldehyde

2-(4-chloro-3-cyclohexylphenyl)-2-imidazol-1-ylacetaldehyde (PubChem CID 88780822) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-(4-chloro-3-cyclohexylphenyl)-2-imidazol-1-ylacetaldehyde.

Molecular Properties

Compound Name2-(4-chloro-3-cyclohexylphenyl)-2-imidazol-1-ylacetaldehyde
PubChem CID88780822
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-(4-chloro-3-cyclohexylphenyl)-2-imidazol-1-ylacetaldehyde
SMILESO=CC(c1ccc(Cl)c(C2CCCCC2)c1)n1ccnc1
InChIInChI=1S/C17H19ClN2O/c18-16-7-6-14(17(11-21)20-9-8-19-12-20)10-15(16)13-4-2-1-3-5-13/h6-13,17H,1-5H2
InChIKeyLWLPSASTRFHVIB-UHFFFAOYSA-N
XLogP4.37
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.37
H-Bond Donors ≤ 50
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 2-(4-chloro-3-cyclohexylphenyl)-2-imidazol-1-ylacetaldehyde?
The IUPAC name of 2-(4-chloro-3-cyclohexylphenyl)-2-imidazol-1-ylacetaldehyde (CID 88780822) is 2-(4-chloro-3-cyclohexylphenyl)-2-imidazol-1-ylacetaldehyde.
What is the SMILES notation for 2-(4-chloro-3-cyclohexylphenyl)-2-imidazol-1-ylacetaldehyde?
The canonical SMILES for 2-(4-chloro-3-cyclohexylphenyl)-2-imidazol-1-ylacetaldehyde is O=CC(c1ccc(Cl)c(C2CCCCC2)c1)n1ccnc1.
What is the InChIKey of 2-(4-chloro-3-cyclohexylphenyl)-2-imidazol-1-ylacetaldehyde?
The InChIKey is LWLPSASTRFHVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c18-16-7-6-14(17(11-21)20-9-8-19-12-20)10-15(16)13-4-2-1-3-5-13/h6-13,17H,1-5H2.
What are the key properties of 2-(4-chloro-3-cyclohexylphenyl)-2-imidazol-1-ylacetaldehyde?
2-(4-chloro-3-cyclohexylphenyl)-2-imidazol-1-ylacetaldehyde has a molecular weight of 302.81 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-cyclohexylphenyl)-2-imidazol-1-ylacetaldehyde is sourced from PubChem (CID 88780822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).