N-(2-bromo-5-fluorophenyl)-1-methylimidazole-4-carboxamide

C11H9BrFN3O — CID 103860189

IUPACN-(2-bromo-5-fluorophenyl)-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)Nc2cc(F)ccc2Br)c1
InChIInChI=1S/C11H9BrFN3O/c1-16-5-10(14-6-16)11(17)15-9-4-7(13)2-3-8(9)12/h2-6H,1H3,(H,15,17)
InChIKeyFQVGSKSOYALJTQ-UHFFFAOYSA-N
MW298.12 g/mol
LogP2.57
Rot. Bonds2

About N-(2-bromo-5-fluorophenyl)-1-methylimidazole-4-carboxamide

N-(2-bromo-5-fluorophenyl)-1-methylimidazole-4-carboxamide (PubChem CID 103860189) has the molecular formula C11H9BrFN3O and a molecular weight of 298.12 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-1-methylimidazole-4-carboxamide
PubChem CID103860189
Molecular FormulaC11H9BrFN3O
Molecular Weight298.12 g/mol
Exact Mass296.99
IUPAC NameN-(2-bromo-5-fluorophenyl)-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)Nc2cc(F)ccc2Br)c1
InChIInChI=1S/C11H9BrFN3O/c1-16-5-10(14-6-16)11(17)15-9-4-7(13)2-3-8(9)12/h2-6H,1H3,(H,15,17)
InChIKeyFQVGSKSOYALJTQ-UHFFFAOYSA-N
XLogP2.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-bromo-5-fluorophenyl)-1-methylimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromo-4-pyridinyl)-1-methylimidazole-4-carboxamide
CID 103874377
N-(2-bromo-5-fluorophenyl)-4-chloropyridine-2-carboxamide
CID 103753577
5-amino-N-(2-bromo-5-fluorophenyl)pyridine-2-carboxamide
CID 107624285
N-(2-bromo-5-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 75425983
2-bromo-5-[(1-methylimidazole-4-carbonyl)amino]benzoic acid
CID 107971638
N-(2-bromo-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 103753650
N-(4-amino-2-chlorophenyl)-1-methylimidazole-4-carboxamide
CID 114022425
6-bromo-N-(2-bromo-5-fluorophenyl)pyridine-3-carboxamide
CID 103753509
4-amino-N-(2-bromo-5-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 107624248
4-amino-N-(2-bromo-5-fluorophenyl)-1-ethylpyrazole-3-carboxamide
CID 107624222
2-bromo-N-(2-bromo-5-fluorophenyl)pyridine-4-carboxamide
CID 103756062
N-(2-bromo-5-fluorophenyl)-3-chloro-4-fluorobenzamide
CID 113264517

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-1-methylimidazole-4-carboxamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-1-methylimidazole-4-carboxamide (CID 103860189) is N-(2-bromo-5-fluorophenyl)-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-1-methylimidazole-4-carboxamide is Cn1cnc(C(=O)Nc2cc(F)ccc2Br)c1.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-1-methylimidazole-4-carboxamide?
The InChIKey is FQVGSKSOYALJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O/c1-16-5-10(14-6-16)11(17)15-9-4-7(13)2-3-8(9)12/h2-6H,1H3,(H,15,17).
What are the key properties of N-(2-bromo-5-fluorophenyl)-1-methylimidazole-4-carboxamide?
N-(2-bromo-5-fluorophenyl)-1-methylimidazole-4-carboxamide has a molecular weight of 298.12 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 103860189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).