N-(4-chloro-2-methylphenyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetamide

C17H14ClF2N3OS — CID 26703232

IUPACN-(4-chloro-2-methylphenyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetamide
SMILESCc1cc(Cl)ccc1NC(=O)Cn1c(SC(F)F)nc2ccccc21
InChIInChI=1S/C17H14ClF2N3OS/c1-10-8-11(18)6-7-12(10)21-15(24)9-23-14-5-3-2-4-13(14)22-17(23)25-16(19)20/h2-8,16H,9H2,1H3,(H,21,24)
InChIKeyYVXBJMDKJMWXPU-UHFFFAOYSA-N
MW381.84 g/mol
LogP4.95
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetamide

N-(4-chloro-2-methylphenyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetamide (PubChem CID 26703232) has the molecular formula C17H14ClF2N3OS and a molecular weight of 381.84 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetamide
PubChem CID26703232
Molecular FormulaC17H14ClF2N3OS
Molecular Weight381.84 g/mol
Exact Mass381.05
IUPAC NameN-(4-chloro-2-methylphenyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetamide
SMILESCc1cc(Cl)ccc1NC(=O)Cn1c(SC(F)F)nc2ccccc21
InChIInChI=1S/C17H14ClF2N3OS/c1-10-8-11(18)6-7-12(10)21-15(24)9-23-14-5-3-2-4-13(14)22-17(23)25-16(19)20/h2-8,16H,9H2,1H3,(H,21,24)
InChIKeyYVXBJMDKJMWXPU-UHFFFAOYSA-N
XLogP4.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chloro-2-methylphenyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetamide 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

2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(6-methyl-2-pyridinyl)acetamide
CID 75479114
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-pyridin-4-ylacetamide
CID 39953718
N-[2-(difluoromethoxy)phenyl]-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetamide
CID 78816234
2-[2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]phenyl]acetamide
CID 55729502
N-[4-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]phenyl]-3-methylbutanamide
CID 46543245
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 51238043
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30764002
N-(4-chloro-2-methylphenyl)-2-(2-methylindol-1-yl)acetamide
CID 4150176
1-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]-3-methylurea
CID 86835783
2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]-N-ethylacetamide
CID 86908094
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[2-fluoro-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 55548710
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-phenylpyrimidin-5-yl)acetamide
CID 134009523

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetamide (CID 26703232) is N-(4-chloro-2-methylphenyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetamide is Cc1cc(Cl)ccc1NC(=O)Cn1c(SC(F)F)nc2ccccc21.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetamide?
The InChIKey is YVXBJMDKJMWXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N3OS/c1-10-8-11(18)6-7-12(10)21-15(24)9-23-14-5-3-2-4-13(14)22-17(23)25-16(19)20/h2-8,16H,9H2,1H3,(H,21,24).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetamide?
N-(4-chloro-2-methylphenyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetamide has a molecular weight of 381.84 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 26703232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).