5-bromo-4-(4-methylphenyl)-1H-imidazole-2-carbaldehyde

C11H9BrN2O — CID 82373917

IUPAC5-bromo-4-(4-methylphenyl)-1H-imidazole-2-carbaldehyde
SMILESCc1ccc(-c2nc(C=O)[nH]c2Br)cc1
InChIInChI=1S/C11H9BrN2O/c1-7-2-4-8(5-3-7)10-11(12)14-9(6-15)13-10/h2-6H,1H3,(H,13,14)
InChIKeyIAFFCFCAUBQMCH-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.96
Rot. Bonds2

About 5-bromo-4-(4-methylphenyl)-1H-imidazole-2-carbaldehyde

5-bromo-4-(4-methylphenyl)-1H-imidazole-2-carbaldehyde (PubChem CID 82373917) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is 5-bromo-4-(4-methylphenyl)-1H-imidazole-2-carbaldehyde.

Molecular Properties

Compound Name5-bromo-4-(4-methylphenyl)-1H-imidazole-2-carbaldehyde
PubChem CID82373917
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name5-bromo-4-(4-methylphenyl)-1H-imidazole-2-carbaldehyde
SMILESCc1ccc(-c2nc(C=O)[nH]c2Br)cc1
InChIInChI=1S/C11H9BrN2O/c1-7-2-4-8(5-3-7)10-11(12)14-9(6-15)13-10/h2-6H,1H3,(H,13,14)
InChIKeyIAFFCFCAUBQMCH-UHFFFAOYSA-N
XLogP2.96
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.96
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 5-bromo-4-(4-methylphenyl)-1H-imidazole-2-carbaldehyde?
The IUPAC name of 5-bromo-4-(4-methylphenyl)-1H-imidazole-2-carbaldehyde (CID 82373917) is 5-bromo-4-(4-methylphenyl)-1H-imidazole-2-carbaldehyde.
What is the SMILES notation for 5-bromo-4-(4-methylphenyl)-1H-imidazole-2-carbaldehyde?
The canonical SMILES for 5-bromo-4-(4-methylphenyl)-1H-imidazole-2-carbaldehyde is Cc1ccc(-c2nc(C=O)[nH]c2Br)cc1.
What is the InChIKey of 5-bromo-4-(4-methylphenyl)-1H-imidazole-2-carbaldehyde?
The InChIKey is IAFFCFCAUBQMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c1-7-2-4-8(5-3-7)10-11(12)14-9(6-15)13-10/h2-6H,1H3,(H,13,14).
What are the key properties of 5-bromo-4-(4-methylphenyl)-1H-imidazole-2-carbaldehyde?
5-bromo-4-(4-methylphenyl)-1H-imidazole-2-carbaldehyde has a molecular weight of 265.11 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-methylphenyl)-1H-imidazole-2-carbaldehyde is sourced from PubChem (CID 82373917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).