N-(3-bromo-4-methylphenyl)imidazole-1-carboxamide

C11H10BrN3O — CID 81270282

IUPACN-(3-bromo-4-methylphenyl)imidazole-1-carboxamide
SMILESCc1ccc(NC(=O)n2ccnc2)cc1Br
InChIInChI=1S/C11H10BrN3O/c1-8-2-3-9(6-10(8)12)14-11(16)15-5-4-13-7-15/h2-7H,1H3,(H,14,16)
InChIKeyBDIONWBLNVJDII-UHFFFAOYSA-N
MW280.12 g/mol
LogP3.03
Rot. Bonds1

About N-(3-bromo-4-methylphenyl)imidazole-1-carboxamide

N-(3-bromo-4-methylphenyl)imidazole-1-carboxamide (PubChem CID 81270282) has the molecular formula C11H10BrN3O and a molecular weight of 280.12 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)imidazole-1-carboxamide
PubChem CID81270282
Molecular FormulaC11H10BrN3O
Molecular Weight280.12 g/mol
Exact Mass279.00
IUPAC NameN-(3-bromo-4-methylphenyl)imidazole-1-carboxamide
SMILESCc1ccc(NC(=O)n2ccnc2)cc1Br
InChIInChI=1S/C11H10BrN3O/c1-8-2-3-9(6-10(8)12)14-11(16)15-5-4-13-7-15/h2-7H,1H3,(H,14,16)
InChIKeyBDIONWBLNVJDII-UHFFFAOYSA-N
XLogP3.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(imidazole-1-carbonylamino)-4-methylphenyl]imidazole-1-carboxamide
CID 690741
N-(3-acetylphenyl)imidazole-1-carboxamide
CID 81258078
N-(3-fluoro-4-methoxyphenyl)imidazole-1-carboxamide
CID 81257589
N-(3,5-dichlorophenyl)imidazole-1-carboxamide
CID 81257838
N-[4-hydroxy-3-(trifluoromethyl)phenyl]imidazole-1-carboxamide
CID 143860074
N-[3-[(2-methoxyacetyl)amino]phenyl]imidazole-1-carboxamide
CID 81257160
N-(3-bromo-4-methylphenyl)pyrazine-2-carboxamide
CID 110699072
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)imidazole-1-carboxamide
CID 81257810
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
N-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazole-1-carboxamide
CID 81257543
N-(4-nitrophenyl)imidazole-1-carboxamide
CID 14907723
N-(5-acetamido-2-methoxyphenyl)imidazole-1-carboxamide
CID 81258005

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)imidazole-1-carboxamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)imidazole-1-carboxamide (CID 81270282) is N-(3-bromo-4-methylphenyl)imidazole-1-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)imidazole-1-carboxamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)imidazole-1-carboxamide is Cc1ccc(NC(=O)n2ccnc2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)imidazole-1-carboxamide?
The InChIKey is BDIONWBLNVJDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O/c1-8-2-3-9(6-10(8)12)14-11(16)15-5-4-13-7-15/h2-7H,1H3,(H,14,16).
What are the key properties of N-(3-bromo-4-methylphenyl)imidazole-1-carboxamide?
N-(3-bromo-4-methylphenyl)imidazole-1-carboxamide has a molecular weight of 280.12 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)imidazole-1-carboxamide is sourced from PubChem (CID 81270282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).