4-(4-chlorophenyl)-5-methyl-1H-imidazole-2-carbaldehyde

C11H9ClN2O — CID 63926384

IUPAC4-(4-chlorophenyl)-5-methyl-1H-imidazole-2-carbaldehyde
SMILESCc1[nH]c(C=O)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClN2O/c1-7-11(14-10(6-15)13-7)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,13,14)
InChIKeyWZYNRMNITWCPBF-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.85
Rot. Bonds2

About 4-(4-chlorophenyl)-5-methyl-1H-imidazole-2-carbaldehyde

4-(4-chlorophenyl)-5-methyl-1H-imidazole-2-carbaldehyde (PubChem CID 63926384) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-methyl-1H-imidazole-2-carbaldehyde.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-methyl-1H-imidazole-2-carbaldehyde
PubChem CID63926384
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name4-(4-chlorophenyl)-5-methyl-1H-imidazole-2-carbaldehyde
SMILESCc1[nH]c(C=O)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClN2O/c1-7-11(14-10(6-15)13-7)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,13,14)
InChIKeyWZYNRMNITWCPBF-UHFFFAOYSA-N
XLogP2.85
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(4-chlorophenyl)-5-methyl-1H-imidazole-2-carbaldehyde?
The IUPAC name of 4-(4-chlorophenyl)-5-methyl-1H-imidazole-2-carbaldehyde (CID 63926384) is 4-(4-chlorophenyl)-5-methyl-1H-imidazole-2-carbaldehyde.
What is the SMILES notation for 4-(4-chlorophenyl)-5-methyl-1H-imidazole-2-carbaldehyde?
The canonical SMILES for 4-(4-chlorophenyl)-5-methyl-1H-imidazole-2-carbaldehyde is Cc1[nH]c(C=O)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-methyl-1H-imidazole-2-carbaldehyde?
The InChIKey is WZYNRMNITWCPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c1-7-11(14-10(6-15)13-7)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,13,14).
What are the key properties of 4-(4-chlorophenyl)-5-methyl-1H-imidazole-2-carbaldehyde?
4-(4-chlorophenyl)-5-methyl-1H-imidazole-2-carbaldehyde has a molecular weight of 220.66 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-methyl-1H-imidazole-2-carbaldehyde is sourced from PubChem (CID 63926384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).