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

C7H10BrN3O2 — CID 20510912

IUPAC5-(bromomethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCN(C)C(=O)c1[nH]c(=O)[nH]c1CBr
InChIInChI=1S/C7H10BrN3O2/c1-11(2)6(12)5-4(3-8)9-7(13)10-5/h3H2,1-2H3,(H2,9,10,13)
InChIKeyNDHKGDCGECNSSR-UHFFFAOYSA-N
MW248.08 g/mol
LogP0.30
Rot. Bonds2

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

5-(bromomethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 20510912) has the molecular formula C7H10BrN3O2 and a molecular weight of 248.08 g/mol. Its IUPAC name is 5-(bromomethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound Name5-(bromomethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID20510912
Molecular FormulaC7H10BrN3O2
Molecular Weight248.08 g/mol
Exact Mass247.00
IUPAC Name5-(bromomethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCN(C)C(=O)c1[nH]c(=O)[nH]c1CBr
InChIInChI=1S/C7H10BrN3O2/c1-11(2)6(12)5-4(3-8)9-7(13)10-5/h3H2,1-2H3,(H2,9,10,13)
InChIKeyNDHKGDCGECNSSR-UHFFFAOYSA-N
XLogP0.30
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 50.30
H-Bond Donors ≤ 52
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,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of 5-(bromomethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 20510912) is 5-(bromomethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for 5-(bromomethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for 5-(bromomethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide is CN(C)C(=O)c1[nH]c(=O)[nH]c1CBr.
What is the InChIKey of 5-(bromomethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is NDHKGDCGECNSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O2/c1-11(2)6(12)5-4(3-8)9-7(13)10-5/h3H2,1-2H3,(H2,9,10,13).
What are the key properties of 5-(bromomethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide?
5-(bromomethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 248.08 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 20510912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).