4-(bromomethyl)-3-methyl-2-oxo-1H-imidazole-5-carboxamide

C6H8BrN3O2 — CID 70483797

IUPAC4-(bromomethyl)-3-methyl-2-oxo-1H-imidazole-5-carboxamide
SMILESCn1c(CBr)c(C(N)=O)[nH]c1=O
InChIInChI=1S/C6H8BrN3O2/c1-10-3(2-7)4(5(8)11)9-6(10)12/h2H2,1H3,(H2,8,11)(H,9,12)
InChIKeyOIFJPUFMJYHDRB-UHFFFAOYSA-N
MW234.05 g/mol
LogP-0.29
Rot. Bonds2

About 4-(bromomethyl)-3-methyl-2-oxo-1H-imidazole-5-carboxamide

4-(bromomethyl)-3-methyl-2-oxo-1H-imidazole-5-carboxamide (PubChem CID 70483797) has the molecular formula C6H8BrN3O2 and a molecular weight of 234.05 g/mol. Its IUPAC name is 4-(bromomethyl)-3-methyl-2-oxo-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-(bromomethyl)-3-methyl-2-oxo-1H-imidazole-5-carboxamide
PubChem CID70483797
Molecular FormulaC6H8BrN3O2
Molecular Weight234.05 g/mol
Exact Mass232.98
IUPAC Name4-(bromomethyl)-3-methyl-2-oxo-1H-imidazole-5-carboxamide
SMILESCn1c(CBr)c(C(N)=O)[nH]c1=O
InChIInChI=1S/C6H8BrN3O2/c1-10-3(2-7)4(5(8)11)9-6(10)12/h2H2,1H3,(H2,8,11)(H,9,12)
InChIKeyOIFJPUFMJYHDRB-UHFFFAOYSA-N
XLogP-0.29
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.05
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-3-methyl-2-oxo-1H-imidazole-5-carboxamide?
The IUPAC name of 4-(bromomethyl)-3-methyl-2-oxo-1H-imidazole-5-carboxamide (CID 70483797) is 4-(bromomethyl)-3-methyl-2-oxo-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-(bromomethyl)-3-methyl-2-oxo-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-(bromomethyl)-3-methyl-2-oxo-1H-imidazole-5-carboxamide is Cn1c(CBr)c(C(N)=O)[nH]c1=O.
What is the InChIKey of 4-(bromomethyl)-3-methyl-2-oxo-1H-imidazole-5-carboxamide?
The InChIKey is OIFJPUFMJYHDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3O2/c1-10-3(2-7)4(5(8)11)9-6(10)12/h2H2,1H3,(H2,8,11)(H,9,12).
What are the key properties of 4-(bromomethyl)-3-methyl-2-oxo-1H-imidazole-5-carboxamide?
4-(bromomethyl)-3-methyl-2-oxo-1H-imidazole-5-carboxamide has a molecular weight of 234.05 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-3-methyl-2-oxo-1H-imidazole-5-carboxamide is sourced from PubChem (CID 70483797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).