5-chloro-3-cyclohexyl-2-phenylimidazole-4-carbaldehyde

C16H17ClN2O — CID 86623638

IUPAC5-chloro-3-cyclohexyl-2-phenylimidazole-4-carbaldehyde
SMILESO=Cc1c(Cl)nc(-c2ccccc2)n1C1CCCCC1
InChIInChI=1S/C16H17ClN2O/c17-15-14(11-20)19(13-9-5-2-6-10-13)16(18-15)12-7-3-1-4-8-12/h1,3-4,7-8,11,13H,2,5-6,9-10H2
InChIKeyJCJCNSNWUQCTIX-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.52
Rot. Bonds3

About 5-chloro-3-cyclohexyl-2-phenylimidazole-4-carbaldehyde

5-chloro-3-cyclohexyl-2-phenylimidazole-4-carbaldehyde (PubChem CID 86623638) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 5-chloro-3-cyclohexyl-2-phenylimidazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-3-cyclohexyl-2-phenylimidazole-4-carbaldehyde
PubChem CID86623638
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name5-chloro-3-cyclohexyl-2-phenylimidazole-4-carbaldehyde
SMILESO=Cc1c(Cl)nc(-c2ccccc2)n1C1CCCCC1
InChIInChI=1S/C16H17ClN2O/c17-15-14(11-20)19(13-9-5-2-6-10-13)16(18-15)12-7-3-1-4-8-12/h1,3-4,7-8,11,13H,2,5-6,9-10H2
InChIKeyJCJCNSNWUQCTIX-UHFFFAOYSA-N
XLogP4.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.52
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 5-chloro-3-cyclohexyl-2-phenylimidazole-4-carbaldehyde?
The IUPAC name of 5-chloro-3-cyclohexyl-2-phenylimidazole-4-carbaldehyde (CID 86623638) is 5-chloro-3-cyclohexyl-2-phenylimidazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-3-cyclohexyl-2-phenylimidazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-3-cyclohexyl-2-phenylimidazole-4-carbaldehyde is O=Cc1c(Cl)nc(-c2ccccc2)n1C1CCCCC1.
What is the InChIKey of 5-chloro-3-cyclohexyl-2-phenylimidazole-4-carbaldehyde?
The InChIKey is JCJCNSNWUQCTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c17-15-14(11-20)19(13-9-5-2-6-10-13)16(18-15)12-7-3-1-4-8-12/h1,3-4,7-8,11,13H,2,5-6,9-10H2.
What are the key properties of 5-chloro-3-cyclohexyl-2-phenylimidazole-4-carbaldehyde?
5-chloro-3-cyclohexyl-2-phenylimidazole-4-carbaldehyde has a molecular weight of 288.78 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-cyclohexyl-2-phenylimidazole-4-carbaldehyde is sourced from PubChem (CID 86623638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).