2-bromo-1H-imidazole-4,5-dicarboxamide

C5H5BrN4O2 — CID 102460611

IUPAC2-bromo-1H-imidazole-4,5-dicarboxamide
SMILESNC(=O)c1nc(Br)[nH]c1C(N)=O
InChIInChI=1S/C5H5BrN4O2/c6-5-9-1(3(7)11)2(10-5)4(8)12/h(H2,7,11)(H2,8,12)(H,9,10)
InChIKeySAAIQLUNNKPWLL-UHFFFAOYSA-N
MW233.02 g/mol
LogP-0.63
Rot. Bonds2

About 2-bromo-1H-imidazole-4,5-dicarboxamide

2-bromo-1H-imidazole-4,5-dicarboxamide (PubChem CID 102460611) has the molecular formula C5H5BrN4O2 and a molecular weight of 233.02 g/mol. Its IUPAC name is 2-bromo-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name2-bromo-1H-imidazole-4,5-dicarboxamide
PubChem CID102460611
Molecular FormulaC5H5BrN4O2
Molecular Weight233.02 g/mol
Exact Mass231.96
IUPAC Name2-bromo-1H-imidazole-4,5-dicarboxamide
SMILESNC(=O)c1nc(Br)[nH]c1C(N)=O
InChIInChI=1S/C5H5BrN4O2/c6-5-9-1(3(7)11)2(10-5)4(8)12/h(H2,7,11)(H2,8,12)(H,9,10)
InChIKeySAAIQLUNNKPWLL-UHFFFAOYSA-N
XLogP-0.63
TPSA114.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.02
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetyl-1H-imidazole-4,5-dicarboxamide
CID 101076456
3-carbamoyl-5-methyl-6-oxo-1H-pyrazine-2-carboxylic acid
CID 12619142
2-(2,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 91091221
2-[(2-chlorophenyl)methyl]-1H-imidazole-4,5-dicarboxamide
CID 66623191
2-bromo-4-[(2-naphthalen-1-ylacetyl)amino]-1H-imidazole-5-carboxamide
CID 168933549
2-bromo-3H-benzimidazole-5-carboxamide
CID 130960891
6-bromo-3,5-dichloropyrazine-2-carboxamide
CID 149496421
4-bromo-3,5-bis(chloromethyl)pyridine-2,6-dicarboxamide
CID 69014036
3-carbamoyl-6-oxo-1H-pyrazine-2-carboxylic acid
CID 12619134
5-bromo-6-deuterio-2-oxo-1H-pyrazine-3-carboxamide
CID 154572854
ethyl 2-bromo-5-formyl-1H-imidazole-4-carboxylate
CID 89231558
3,5-dimethyl-6-oxo-1H-pyrazine-2-carboxamide
CID 143824989

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 2-bromo-1H-imidazole-4,5-dicarboxamide (CID 102460611) is 2-bromo-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 2-bromo-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 2-bromo-1H-imidazole-4,5-dicarboxamide is NC(=O)c1nc(Br)[nH]c1C(N)=O.
What is the InChIKey of 2-bromo-1H-imidazole-4,5-dicarboxamide?
The InChIKey is SAAIQLUNNKPWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN4O2/c6-5-9-1(3(7)11)2(10-5)4(8)12/h(H2,7,11)(H2,8,12)(H,9,10).
What are the key properties of 2-bromo-1H-imidazole-4,5-dicarboxamide?
2-bromo-1H-imidazole-4,5-dicarboxamide has a molecular weight of 233.02 g/mol, XLogP of -0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 102460611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).