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

C8H12BrN3O2 — CID 70555303

IUPAC5-(2-bromoethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCN(C)C(=O)c1[nH]c(=O)[nH]c1CCBr
InChIInChI=1S/C8H12BrN3O2/c1-12(2)7(13)6-5(3-4-9)10-8(14)11-6/h3-4H2,1-2H3,(H2,10,11,14)
InChIKeyYBOIJWQYUDLLMD-UHFFFAOYSA-N
MW262.11 g/mol
LogP0.34
Rot. Bonds3

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

5-(2-bromoethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 70555303) has the molecular formula C8H12BrN3O2 and a molecular weight of 262.11 g/mol. Its IUPAC name is 5-(2-bromoethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-bromoethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID70555303
Molecular FormulaC8H12BrN3O2
Molecular Weight262.11 g/mol
Exact Mass261.01
IUPAC Name5-(2-bromoethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCN(C)C(=O)c1[nH]c(=O)[nH]c1CCBr
InChIInChI=1S/C8H12BrN3O2/c1-12(2)7(13)6-5(3-4-9)10-8(14)11-6/h3-4H2,1-2H3,(H2,10,11,14)
InChIKeyYBOIJWQYUDLLMD-UHFFFAOYSA-N
XLogP0.34
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 20064184
CID 20064184
CID 20510911
CID 20510911
CID 20510912
CID 20510912
CID 20510970
CID 20510970
CID 70483797
CID 70483797
CID 70555462
CID 70555462

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of 5-(2-bromoethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 70555303) is 5-(2-bromoethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for 5-(2-bromoethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for 5-(2-bromoethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide is CN(C)C(=O)c1[nH]c(=O)[nH]c1CCBr.
What is the InChIKey of 5-(2-bromoethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is YBOIJWQYUDLLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O2/c1-12(2)7(13)6-5(3-4-9)10-8(14)11-6/h3-4H2,1-2H3,(H2,10,11,14).
What are the key properties of 5-(2-bromoethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide?
5-(2-bromoethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 262.11 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoethyl)-N,N-dimethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 70555303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).