2-bromo-N,N,1-trimethylimidazole-4-carboxamide

C7H10BrN3O — CID 164650738

IUPAC2-bromo-N,N,1-trimethylimidazole-4-carboxamide
SMILESCN(C)C(=O)c1cn(C)c(Br)n1
InChIInChI=1S/C7H10BrN3O/c1-10(2)6(12)5-4-11(3)7(8)9-5/h4H,1-3H3
InChIKeyXSHMDUZVCZJLCT-UHFFFAOYSA-N
MW232.08 g/mol
LogP0.88
Rot. Bonds1

About 2-bromo-N,N,1-trimethylimidazole-4-carboxamide

2-bromo-N,N,1-trimethylimidazole-4-carboxamide (PubChem CID 164650738) has the molecular formula C7H10BrN3O and a molecular weight of 232.08 g/mol. Its IUPAC name is 2-bromo-N,N,1-trimethylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N,N,1-trimethylimidazole-4-carboxamide
PubChem CID164650738
Molecular FormulaC7H10BrN3O
Molecular Weight232.08 g/mol
Exact Mass231.00
IUPAC Name2-bromo-N,N,1-trimethylimidazole-4-carboxamide
SMILESCN(C)C(=O)c1cn(C)c(Br)n1
InChIInChI=1S/C7H10BrN3O/c1-10(2)6(12)5-4-11(3)7(8)9-5/h4H,1-3H3
InChIKeyXSHMDUZVCZJLCT-UHFFFAOYSA-N
XLogP0.88
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,N,1-trimethylimidazole-4-carboxamide?
The IUPAC name of 2-bromo-N,N,1-trimethylimidazole-4-carboxamide (CID 164650738) is 2-bromo-N,N,1-trimethylimidazole-4-carboxamide.
What is the SMILES notation for 2-bromo-N,N,1-trimethylimidazole-4-carboxamide?
The canonical SMILES for 2-bromo-N,N,1-trimethylimidazole-4-carboxamide is CN(C)C(=O)c1cn(C)c(Br)n1.
What is the InChIKey of 2-bromo-N,N,1-trimethylimidazole-4-carboxamide?
The InChIKey is XSHMDUZVCZJLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O/c1-10(2)6(12)5-4-11(3)7(8)9-5/h4H,1-3H3.
What are the key properties of 2-bromo-N,N,1-trimethylimidazole-4-carboxamide?
2-bromo-N,N,1-trimethylimidazole-4-carboxamide has a molecular weight of 232.08 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N,1-trimethylimidazole-4-carboxamide is sourced from PubChem (CID 164650738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).