2-(difluoromethylsulfanyl)-N-(1H-imidazol-2-yl)benzamide

C11H9F2N3OS — CID 55027696

IUPAC2-(difluoromethylsulfanyl)-N-(1H-imidazol-2-yl)benzamide
SMILESO=C(Nc1ncc[nH]1)c1ccccc1SC(F)F
InChIInChI=1S/C11H9F2N3OS/c12-10(13)18-8-4-2-1-3-7(8)9(17)16-11-14-5-6-15-11/h1-6,10H,(H2,14,15,16,17)
InChIKeyOMWAKRRHVQWUOE-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.98
Rot. Bonds4

About 2-(difluoromethylsulfanyl)-N-(1H-imidazol-2-yl)benzamide

2-(difluoromethylsulfanyl)-N-(1H-imidazol-2-yl)benzamide (PubChem CID 55027696) has the molecular formula C11H9F2N3OS and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-(1H-imidazol-2-yl)benzamide.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-(1H-imidazol-2-yl)benzamide
PubChem CID55027696
Molecular FormulaC11H9F2N3OS
Molecular Weight269.28 g/mol
Exact Mass269.04
IUPAC Name2-(difluoromethylsulfanyl)-N-(1H-imidazol-2-yl)benzamide
SMILESO=C(Nc1ncc[nH]1)c1ccccc1SC(F)F
InChIInChI=1S/C11H9F2N3OS/c12-10(13)18-8-4-2-1-3-7(8)9(17)16-11-14-5-6-15-11/h1-6,10H,(H2,14,15,16,17)
InChIKeyOMWAKRRHVQWUOE-UHFFFAOYSA-N
XLogP2.98
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(difluoromethylsulfanyl)-N-(1H-imidazol-2-yl)benzamide 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-(1H-imidazol-2-yl)-2-methylbenzamide
CID 60968635
N-(1H-imidazol-2-yl)-2-(methylamino)benzamide
CID 63563761
2-ethoxy-N-(1H-imidazol-2-yl)benzamide
CID 60967218
2-hydroxy-N-(1H-imidazol-2-yl)-3-methylbenzamide
CID 60968361
3-(2-fluorophenyl)sulfanyl-N-(1H-imidazol-2-yl)propanamide
CID 55212765
2-(difluoromethylsulfanyl)-N-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 166365803
N-(1H-imidazol-2-yl)-2,3-dimethoxybenzamide
CID 55027603
N-tert-butyl-2-(difluoromethylsulfanyl)benzamide
CID 60645913
2-[(2-chlorobenzoyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 11858230
N-(2-aminoethyl)-2-(difluoromethylsulfanyl)benzamide;hydrochloride
CID 119382897
2-(difluoromethylsulfanyl)-N-(2-methoxyphenyl)benzamide
CID 17424318
N-(1H-imidazol-2-yl)-1-propan-2-ylindole-4-carboxamide
CID 71706054

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-(1H-imidazol-2-yl)benzamide?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-(1H-imidazol-2-yl)benzamide (CID 55027696) is 2-(difluoromethylsulfanyl)-N-(1H-imidazol-2-yl)benzamide.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-(1H-imidazol-2-yl)benzamide?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-(1H-imidazol-2-yl)benzamide is O=C(Nc1ncc[nH]1)c1ccccc1SC(F)F.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-(1H-imidazol-2-yl)benzamide?
The InChIKey is OMWAKRRHVQWUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3OS/c12-10(13)18-8-4-2-1-3-7(8)9(17)16-11-14-5-6-15-11/h1-6,10H,(H2,14,15,16,17).
What are the key properties of 2-(difluoromethylsulfanyl)-N-(1H-imidazol-2-yl)benzamide?
2-(difluoromethylsulfanyl)-N-(1H-imidazol-2-yl)benzamide has a molecular weight of 269.28 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-(1H-imidazol-2-yl)benzamide is sourced from PubChem (CID 55027696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).