4-(3-bromophenyl)-1H-imidazole-5-carboxylic acid

C10H7BrN2O2 — CID 82304699

IUPAC4-(3-bromophenyl)-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1[nH]cnc1-c1cccc(Br)c1
InChIInChI=1S/C10H7BrN2O2/c11-7-3-1-2-6(4-7)8-9(10(14)15)13-5-12-8/h1-5H,(H,12,13)(H,14,15)
InChIKeyWAMVKWDPIZFJDI-UHFFFAOYSA-N
MW267.08 g/mol
LogP2.54
Rot. Bonds2

About 4-(3-bromophenyl)-1H-imidazole-5-carboxylic acid

4-(3-bromophenyl)-1H-imidazole-5-carboxylic acid (PubChem CID 82304699) has the molecular formula C10H7BrN2O2 and a molecular weight of 267.08 g/mol. Its IUPAC name is 4-(3-bromophenyl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(3-bromophenyl)-1H-imidazole-5-carboxylic acid
PubChem CID82304699
Molecular FormulaC10H7BrN2O2
Molecular Weight267.08 g/mol
Exact Mass265.97
IUPAC Name4-(3-bromophenyl)-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1[nH]cnc1-c1cccc(Br)c1
InChIInChI=1S/C10H7BrN2O2/c11-7-3-1-2-6(4-7)8-9(10(14)15)13-5-12-8/h1-5H,(H,12,13)(H,14,15)
InChIKeyWAMVKWDPIZFJDI-UHFFFAOYSA-N
XLogP2.54
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.08
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-phenylphenyl)-1H-imidazole-5-carboxylic acid
CID 82303667
4-bromo-3-(3-bromophenyl)-1H-pyrazole-5-carboxylic acid
CID 45496321
4-(3-bromophenyl)-2-methyl-1H-imidazole-5-carboxylic acid
CID 82307284
2-amino-4-(3-bromophenyl)-1H-imidazole-5-carboxylic acid
CID 82489405
5,6-bis(3-bromophenyl)pyrazine-2,3-dicarboxylic acid
CID 132588495
4-(3-bromophenyl)-2-methylsulfanyl-1H-imidazole-5-carboxylic acid
CID 117224766
4-(3-benzoylphenyl)-1H-imidazole-5-carboxamide
CID 16658821
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-5-carboxylic acid
CID 82295006
3-(3-bromophenyl)-1H-pyrazole-5-carboxylic acid;ethane
CID 143798874
3-(3-bromophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid
CID 82489335
6-(3-bromophenyl)pyridine-2-carboxylic acid
CID 82378732
4-(7-hydroxy-1H-indol-2-yl)-1H-imidazole-5-carboxylic acid
CID 82386557

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-(3-bromophenyl)-1H-imidazole-5-carboxylic acid (CID 82304699) is 4-(3-bromophenyl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-(3-bromophenyl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-(3-bromophenyl)-1H-imidazole-5-carboxylic acid is O=C(O)c1[nH]cnc1-c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-1H-imidazole-5-carboxylic acid?
The InChIKey is WAMVKWDPIZFJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O2/c11-7-3-1-2-6(4-7)8-9(10(14)15)13-5-12-8/h1-5H,(H,12,13)(H,14,15).
What are the key properties of 4-(3-bromophenyl)-1H-imidazole-5-carboxylic acid?
4-(3-bromophenyl)-1H-imidazole-5-carboxylic acid has a molecular weight of 267.08 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 82304699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).