3-(4-bromophenyl)imidazole-4-carboxylic acid

C10H7BrN2O2 — CID 71265785

IUPAC3-(4-bromophenyl)imidazole-4-carboxylic acid
SMILESO=C(O)c1cncn1-c1ccc(Br)cc1
InChIInChI=1S/C10H7BrN2O2/c11-7-1-3-8(4-2-7)13-6-12-5-9(13)10(14)15/h1-6H,(H,14,15)
InChIKeyFNNYTZBNNMMZEU-UHFFFAOYSA-N
MW267.08 g/mol
LogP2.33
Rot. Bonds2

About 3-(4-bromophenyl)imidazole-4-carboxylic acid

3-(4-bromophenyl)imidazole-4-carboxylic acid (PubChem CID 71265785) has the molecular formula C10H7BrN2O2 and a molecular weight of 267.08 g/mol. Its IUPAC name is 3-(4-bromophenyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-bromophenyl)imidazole-4-carboxylic acid
PubChem CID71265785
Molecular FormulaC10H7BrN2O2
Molecular Weight267.08 g/mol
Exact Mass265.97
IUPAC Name3-(4-bromophenyl)imidazole-4-carboxylic acid
SMILESO=C(O)c1cncn1-c1ccc(Br)cc1
InChIInChI=1S/C10H7BrN2O2/c11-7-1-3-8(4-2-7)13-6-12-5-9(13)10(14)15/h1-6H,(H,14,15)
InChIKeyFNNYTZBNNMMZEU-UHFFFAOYSA-N
XLogP2.33
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.08
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)imidazole-4-carboxylic acid?
The IUPAC name of 3-(4-bromophenyl)imidazole-4-carboxylic acid (CID 71265785) is 3-(4-bromophenyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 3-(4-bromophenyl)imidazole-4-carboxylic acid?
The canonical SMILES for 3-(4-bromophenyl)imidazole-4-carboxylic acid is O=C(O)c1cncn1-c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)imidazole-4-carboxylic acid?
The InChIKey is FNNYTZBNNMMZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O2/c11-7-1-3-8(4-2-7)13-6-12-5-9(13)10(14)15/h1-6H,(H,14,15).
What are the key properties of 3-(4-bromophenyl)imidazole-4-carboxylic acid?
3-(4-bromophenyl)imidazole-4-carboxylic acid has a molecular weight of 267.08 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 71265785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).