5-(bromomethyl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide

C6H8BrN3O2 — CID 20510970

IUPAC5-(bromomethyl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCNC(=O)c1[nH]c(=O)[nH]c1CBr
InChIInChI=1S/C6H8BrN3O2/c1-8-5(11)4-3(2-7)9-6(12)10-4/h2H2,1H3,(H,8,11)(H2,9,10,12)
InChIKeyJAGWCYUPVMIXME-UHFFFAOYSA-N
MW234.05 g/mol
LogP-0.04
Rot. Bonds2

About 5-(bromomethyl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide

5-(bromomethyl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 20510970) has the molecular formula C6H8BrN3O2 and a molecular weight of 234.05 g/mol. Its IUPAC name is 5-(bromomethyl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound Name5-(bromomethyl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID20510970
Molecular FormulaC6H8BrN3O2
Molecular Weight234.05 g/mol
Exact Mass232.98
IUPAC Name5-(bromomethyl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCNC(=O)c1[nH]c(=O)[nH]c1CBr
InChIInChI=1S/C6H8BrN3O2/c1-8-5(11)4-3(2-7)9-6(12)10-4/h2H2,1H3,(H,8,11)(H2,9,10,12)
InChIKeyJAGWCYUPVMIXME-UHFFFAOYSA-N
XLogP-0.04
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.05
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 5-(bromomethyl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of 5-(bromomethyl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 20510970) is 5-(bromomethyl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for 5-(bromomethyl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for 5-(bromomethyl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide is CNC(=O)c1[nH]c(=O)[nH]c1CBr.
What is the InChIKey of 5-(bromomethyl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is JAGWCYUPVMIXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3O2/c1-8-5(11)4-3(2-7)9-6(12)10-4/h2H2,1H3,(H,8,11)(H2,9,10,12).
What are the key properties of 5-(bromomethyl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide?
5-(bromomethyl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 234.05 g/mol, XLogP of -0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-methyl-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 20510970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).