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

C5H6BrN3O2 — CID 20510915

IUPAC5-(bromomethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESNC(=O)c1[nH]c(=O)[nH]c1CBr
InChIInChI=1S/C5H6BrN3O2/c6-1-2-3(4(7)10)9-5(11)8-2/h1H2,(H2,7,10)(H2,8,9,11)
InChIKeyUMCMIJAPCCVTHN-UHFFFAOYSA-N
MW220.03 g/mol
LogP-0.30
Rot. Bonds2

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

5-(bromomethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 20510915) has the molecular formula C5H6BrN3O2 and a molecular weight of 220.03 g/mol. Its IUPAC name is 5-(bromomethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound Name5-(bromomethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID20510915
Molecular FormulaC5H6BrN3O2
Molecular Weight220.03 g/mol
Exact Mass218.96
IUPAC Name5-(bromomethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESNC(=O)c1[nH]c(=O)[nH]c1CBr
InChIInChI=1S/C5H6BrN3O2/c6-1-2-3(4(7)10)9-5(11)8-2/h1H2,(H2,7,10)(H2,8,9,11)
InChIKeyUMCMIJAPCCVTHN-UHFFFAOYSA-N
XLogP-0.30
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.03
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(bromomethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of 5-(bromomethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 20510915) is 5-(bromomethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for 5-(bromomethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for 5-(bromomethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide is NC(=O)c1[nH]c(=O)[nH]c1CBr.
What is the InChIKey of 5-(bromomethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is UMCMIJAPCCVTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN3O2/c6-1-2-3(4(7)10)9-5(11)8-2/h1H2,(H2,7,10)(H2,8,9,11).
What are the key properties of 5-(bromomethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
5-(bromomethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 220.03 g/mol, XLogP of -0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 20510915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).