N-(4-bromo-2-methylphenyl)-3-methylimidazole-4-carboxamide

C12H12BrN3O — CID 110863038

IUPACN-(4-bromo-2-methylphenyl)-3-methylimidazole-4-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1cncn1C
InChIInChI=1S/C12H12BrN3O/c1-8-5-9(13)3-4-10(8)15-12(17)11-6-14-7-16(11)2/h3-7H,1-2H3,(H,15,17)
InChIKeyPHIUTIBTJCKCDU-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.74
Rot. Bonds2

About N-(4-bromo-2-methylphenyl)-3-methylimidazole-4-carboxamide

N-(4-bromo-2-methylphenyl)-3-methylimidazole-4-carboxamide (PubChem CID 110863038) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-3-methylimidazole-4-carboxamide
PubChem CID110863038
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC NameN-(4-bromo-2-methylphenyl)-3-methylimidazole-4-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1cncn1C
InChIInChI=1S/C12H12BrN3O/c1-8-5-9(13)3-4-10(8)15-12(17)11-6-14-7-16(11)2/h3-7H,1-2H3,(H,15,17)
InChIKeyPHIUTIBTJCKCDU-UHFFFAOYSA-N
XLogP2.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121522
N-(4-bromo-2-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28780531
N-(2-bromo-4-sulfamoylphenyl)-3-methylimidazole-4-carboxamide
CID 103511171
4-bromo-3-[(3-methylimidazole-4-carbonyl)amino]benzoic acid
CID 114003854
3-methyl-N-(2,4,6-trimethylphenyl)imidazole-4-carboxamide
CID 110858219
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
N-(2,6-difluoro-3-pyridinyl)-3-methylimidazole-4-carboxamide
CID 103512452
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-phenylimidazole-4-carboxamide
CID 17437537
N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-3-methylimidazole-4-carboxamide
CID 103511818
N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide
CID 789005
N-(3-chloro-4-methylphenyl)-3-methylimidazole-4-carboxamide
CID 110859280
N-(5-bromo-2-methylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61061508

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-3-methylimidazole-4-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-3-methylimidazole-4-carboxamide (CID 110863038) is N-(4-bromo-2-methylphenyl)-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-3-methylimidazole-4-carboxamide is Cc1cc(Br)ccc1NC(=O)c1cncn1C.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-3-methylimidazole-4-carboxamide?
The InChIKey is PHIUTIBTJCKCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-8-5-9(13)3-4-10(8)15-12(17)11-6-14-7-16(11)2/h3-7H,1-2H3,(H,15,17).
What are the key properties of N-(4-bromo-2-methylphenyl)-3-methylimidazole-4-carboxamide?
N-(4-bromo-2-methylphenyl)-3-methylimidazole-4-carboxamide has a molecular weight of 294.15 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 110863038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).