2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dimethylphenyl)ethanone

C17H16N2OS — CID 853110

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)CSc2nc3ccccc3[nH]2)c(C)c1
InChIInChI=1S/C17H16N2OS/c1-11-7-8-13(12(2)9-11)16(20)10-21-17-18-14-5-3-4-6-15(14)19-17/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyNPKSOWXOOODNLS-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.15
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dimethylphenyl)ethanone

2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dimethylphenyl)ethanone (PubChem CID 853110) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dimethylphenyl)ethanone
PubChem CID853110
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)CSc2nc3ccccc3[nH]2)c(C)c1
InChIInChI=1S/C17H16N2OS/c1-11-7-8-13(12(2)9-11)16(20)10-21-17-18-14-5-3-4-6-15(14)19-17/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyNPKSOWXOOODNLS-UHFFFAOYSA-N
XLogP4.15
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dimethylphenyl)ethanone 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-(1H-benzimidazol-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone
CID 2436081
2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,5-difluorophenyl)ethanone
CID 43218350
2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone
CID 747420
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 6459655
2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone;hydrobromide
CID 2828877
2-[(2,5-dimethylphenyl)methylsulfanyl]-1H-benzimidazole
CID 899259
1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-one
CID 15133696
2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-chlorophenyl)ethanone
CID 43218263
2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone
CID 1383157
2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,5-dimethylpyrazol-1-yl)ethanone
CID 3525067
2-(1H-benzimidazol-2-ylsulfanyl)-1-(1-benzofuran-2-yl)ethanone
CID 2335628
2-[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one
CID 39417248

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dimethylphenyl)ethanone?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dimethylphenyl)ethanone (CID 853110) is 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dimethylphenyl)ethanone?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dimethylphenyl)ethanone is Cc1ccc(C(=O)CSc2nc3ccccc3[nH]2)c(C)c1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dimethylphenyl)ethanone?
The InChIKey is NPKSOWXOOODNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-11-7-8-13(12(2)9-11)16(20)10-21-17-18-14-5-3-4-6-15(14)19-17/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dimethylphenyl)ethanone?
2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dimethylphenyl)ethanone has a molecular weight of 296.40 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dimethylphenyl)ethanone is sourced from PubChem (CID 853110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).