4-(3-bromophenyl)-2-methyl-1H-imidazole-5-carboxylic acid

C11H9BrN2O2 — CID 82307284

IUPAC4-(3-bromophenyl)-2-methyl-1H-imidazole-5-carboxylic acid
SMILESCc1nc(-c2cccc(Br)c2)c(C(=O)O)[nH]1
InChIInChI=1S/C11H9BrN2O2/c1-6-13-9(10(14-6)11(15)16)7-3-2-4-8(12)5-7/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyIBOKSOVPHXVHQB-UHFFFAOYSA-N
MW281.11 g/mol
LogP2.85
Rot. Bonds2

About 4-(3-bromophenyl)-2-methyl-1H-imidazole-5-carboxylic acid

4-(3-bromophenyl)-2-methyl-1H-imidazole-5-carboxylic acid (PubChem CID 82307284) has the molecular formula C11H9BrN2O2 and a molecular weight of 281.11 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-methyl-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-methyl-1H-imidazole-5-carboxylic acid
PubChem CID82307284
Molecular FormulaC11H9BrN2O2
Molecular Weight281.11 g/mol
Exact Mass279.98
IUPAC Name4-(3-bromophenyl)-2-methyl-1H-imidazole-5-carboxylic acid
SMILESCc1nc(-c2cccc(Br)c2)c(C(=O)O)[nH]1
InChIInChI=1S/C11H9BrN2O2/c1-6-13-9(10(14-6)11(15)16)7-3-2-4-8(12)5-7/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyIBOKSOVPHXVHQB-UHFFFAOYSA-N
XLogP2.85
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-methyl-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-(3-bromophenyl)-2-methyl-1H-imidazole-5-carboxylic acid (CID 82307284) is 4-(3-bromophenyl)-2-methyl-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-(3-bromophenyl)-2-methyl-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-(3-bromophenyl)-2-methyl-1H-imidazole-5-carboxylic acid is Cc1nc(-c2cccc(Br)c2)c(C(=O)O)[nH]1.
What is the InChIKey of 4-(3-bromophenyl)-2-methyl-1H-imidazole-5-carboxylic acid?
The InChIKey is IBOKSOVPHXVHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2/c1-6-13-9(10(14-6)11(15)16)7-3-2-4-8(12)5-7/h2-5H,1H3,(H,13,14)(H,15,16).
What are the key properties of 4-(3-bromophenyl)-2-methyl-1H-imidazole-5-carboxylic acid?
4-(3-bromophenyl)-2-methyl-1H-imidazole-5-carboxylic acid has a molecular weight of 281.11 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-methyl-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 82307284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).