5-bromo-2-ethyl-1H-imidazole-4-carbaldehyde

C6H7BrN2O — CID 10058687

IUPAC5-bromo-2-ethyl-1H-imidazole-4-carbaldehyde
SMILESCCc1nc(C=O)c(Br)[nH]1
InChIInChI=1S/C6H7BrN2O/c1-2-5-8-4(3-10)6(7)9-5/h3H,2H2,1H3,(H,8,9)
InChIKeyIZTFGAWSLUPFRJ-UHFFFAOYSA-N
MW203.04 g/mol
LogP1.55
Rot. Bonds2

About 5-bromo-2-ethyl-1H-imidazole-4-carbaldehyde

5-bromo-2-ethyl-1H-imidazole-4-carbaldehyde (PubChem CID 10058687) has the molecular formula C6H7BrN2O and a molecular weight of 203.04 g/mol. Its IUPAC name is 5-bromo-2-ethyl-1H-imidazole-4-carbaldehyde.

Molecular Properties

Compound Name5-bromo-2-ethyl-1H-imidazole-4-carbaldehyde
PubChem CID10058687
Molecular FormulaC6H7BrN2O
Molecular Weight203.04 g/mol
Exact Mass201.97
IUPAC Name5-bromo-2-ethyl-1H-imidazole-4-carbaldehyde
SMILESCCc1nc(C=O)c(Br)[nH]1
InChIInChI=1S/C6H7BrN2O/c1-2-5-8-4(3-10)6(7)9-5/h3H,2H2,1H3,(H,8,9)
InChIKeyIZTFGAWSLUPFRJ-UHFFFAOYSA-N
XLogP1.55
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.04
LogP ≤ 51.55
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-2-ethyl-1H-imidazole-4-carbaldehyde?
The IUPAC name of 5-bromo-2-ethyl-1H-imidazole-4-carbaldehyde (CID 10058687) is 5-bromo-2-ethyl-1H-imidazole-4-carbaldehyde.
What is the SMILES notation for 5-bromo-2-ethyl-1H-imidazole-4-carbaldehyde?
The canonical SMILES for 5-bromo-2-ethyl-1H-imidazole-4-carbaldehyde is CCc1nc(C=O)c(Br)[nH]1.
What is the InChIKey of 5-bromo-2-ethyl-1H-imidazole-4-carbaldehyde?
The InChIKey is IZTFGAWSLUPFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O/c1-2-5-8-4(3-10)6(7)9-5/h3H,2H2,1H3,(H,8,9).
What are the key properties of 5-bromo-2-ethyl-1H-imidazole-4-carbaldehyde?
5-bromo-2-ethyl-1H-imidazole-4-carbaldehyde has a molecular weight of 203.04 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethyl-1H-imidazole-4-carbaldehyde is sourced from PubChem (CID 10058687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).