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

C10H8BrN3O2 — CID 82489405

IUPAC2-amino-4-(3-bromophenyl)-1H-imidazole-5-carboxylic acid
SMILESNc1nc(-c2cccc(Br)c2)c(C(=O)O)[nH]1
InChIInChI=1S/C10H8BrN3O2/c11-6-3-1-2-5(4-6)7-8(9(15)16)14-10(12)13-7/h1-4H,(H,15,16)(H3,12,13,14)
InChIKeyASMVMRPIXDLMFI-UHFFFAOYSA-N
MW282.10 g/mol
LogP2.12
Rot. Bonds2

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

2-amino-4-(3-bromophenyl)-1H-imidazole-5-carboxylic acid (PubChem CID 82489405) has the molecular formula C10H8BrN3O2 and a molecular weight of 282.10 g/mol. Its IUPAC name is 2-amino-4-(3-bromophenyl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-(3-bromophenyl)-1H-imidazole-5-carboxylic acid
PubChem CID82489405
Molecular FormulaC10H8BrN3O2
Molecular Weight282.10 g/mol
Exact Mass280.98
IUPAC Name2-amino-4-(3-bromophenyl)-1H-imidazole-5-carboxylic acid
SMILESNc1nc(-c2cccc(Br)c2)c(C(=O)O)[nH]1
InChIInChI=1S/C10H8BrN3O2/c11-6-3-1-2-5(4-6)7-8(9(15)16)14-10(12)13-7/h1-4H,(H,15,16)(H3,12,13,14)
InChIKeyASMVMRPIXDLMFI-UHFFFAOYSA-N
XLogP2.12
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromophenyl)-2-methyl-1H-imidazole-5-carboxylic acid
CID 82307284
2-amino-4-(3-methoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 82475428
4-(3-bromophenyl)-2-methylsulfanyl-1H-imidazole-5-carboxylic acid
CID 117224766
2-amino-4-(3,4-difluorophenyl)-1H-imidazole-5-carboxylic acid
CID 82477054
2-amino-4-(4-fluorophenyl)-1H-imidazole-5-carboxylic acid
CID 82472728
4-(3-bromophenyl)-1H-imidazole-5-carboxylic acid
CID 82304699
4-bromo-3-(3-bromophenyl)-1H-pyrazole-5-carboxylic acid
CID 45496321
5,6-bis(3-bromophenyl)pyrazine-2,3-dicarboxylic acid
CID 132588495
3-(3-bromophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid
CID 82489335
4-(3-bromophenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 82226681
6-(3-bromophenyl)pyridine-2-carboxylic acid
CID 82378732
4-(3-bromophenyl)thiadiazole-5-carboxylic acid
CID 65207487

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-bromophenyl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-amino-4-(3-bromophenyl)-1H-imidazole-5-carboxylic acid (CID 82489405) is 2-amino-4-(3-bromophenyl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-amino-4-(3-bromophenyl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-amino-4-(3-bromophenyl)-1H-imidazole-5-carboxylic acid is Nc1nc(-c2cccc(Br)c2)c(C(=O)O)[nH]1.
What is the InChIKey of 2-amino-4-(3-bromophenyl)-1H-imidazole-5-carboxylic acid?
The InChIKey is ASMVMRPIXDLMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O2/c11-6-3-1-2-5(4-6)7-8(9(15)16)14-10(12)13-7/h1-4H,(H,15,16)(H3,12,13,14).
What are the key properties of 2-amino-4-(3-bromophenyl)-1H-imidazole-5-carboxylic acid?
2-amino-4-(3-bromophenyl)-1H-imidazole-5-carboxylic acid has a molecular weight of 282.10 g/mol, XLogP of 2.12, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-bromophenyl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 82489405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).