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

C8H12BrN3O2 — CID 20510911

IUPAC5-(1-bromoethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCC(Br)c1[nH]c(=O)[nH]c1C(=O)N(C)C
InChIInChI=1S/C8H12BrN3O2/c1-4(9)5-6(7(13)12(2)3)11-8(14)10-5/h4H,1-3H3,(H2,10,11,14)
InChIKeyKPTOAKNBCXSWFV-UHFFFAOYSA-N
MW262.11 g/mol
LogP0.86
Rot. Bonds2

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

5-(1-bromoethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 20510911) has the molecular formula C8H12BrN3O2 and a molecular weight of 262.11 g/mol. Its IUPAC name is 5-(1-bromoethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound Name5-(1-bromoethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID20510911
Molecular FormulaC8H12BrN3O2
Molecular Weight262.11 g/mol
Exact Mass261.01
IUPAC Name5-(1-bromoethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCC(Br)c1[nH]c(=O)[nH]c1C(=O)N(C)C
InChIInChI=1S/C8H12BrN3O2/c1-4(9)5-6(7(13)12(2)3)11-8(14)10-5/h4H,1-3H3,(H2,10,11,14)
InChIKeyKPTOAKNBCXSWFV-UHFFFAOYSA-N
XLogP0.86
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 50.86
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-(1-bromoethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of 5-(1-bromoethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 20510911) is 5-(1-bromoethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for 5-(1-bromoethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for 5-(1-bromoethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide is CC(Br)c1[nH]c(=O)[nH]c1C(=O)N(C)C.
What is the InChIKey of 5-(1-bromoethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is KPTOAKNBCXSWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O2/c1-4(9)5-6(7(13)12(2)3)11-8(14)10-5/h4H,1-3H3,(H2,10,11,14).
What are the key properties of 5-(1-bromoethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide?
5-(1-bromoethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 262.11 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-bromoethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 20510911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).