2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone

C15H11FN2OS — CID 2436081

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone
SMILESO=C(CSc1nc2ccccc2[nH]1)c1ccccc1F
InChIInChI=1S/C15H11FN2OS/c16-11-6-2-1-5-10(11)14(19)9-20-15-17-12-7-3-4-8-13(12)18-15/h1-8H,9H2,(H,17,18)
InChIKeyYVNIZLGFTLMNOQ-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.68
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone

2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone (PubChem CID 2436081) has the molecular formula C15H11FN2OS and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone
PubChem CID2436081
Molecular FormulaC15H11FN2OS
Molecular Weight286.33 g/mol
Exact Mass286.06
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone
SMILESO=C(CSc1nc2ccccc2[nH]1)c1ccccc1F
InChIInChI=1S/C15H11FN2OS/c16-11-6-2-1-5-10(11)14(19)9-20-15-17-12-7-3-4-8-13(12)18-15/h1-8H,9H2,(H,17,18)
InChIKeyYVNIZLGFTLMNOQ-UHFFFAOYSA-N
XLogP3.68
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-fluorophenyl)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-(2,5-difluorophenyl)ethanone
CID 43218350
2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dimethylphenyl)ethanone
CID 853110
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2-fluorophenyl)methylideneamino]acetamide
CID 696957
2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone
CID 747420
2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-chlorophenyl)ethanone
CID 43218263
2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone;hydrobromide
CID 2828877
2-(1H-benzimidazol-2-ylsulfanyl)-1-(1-benzofuran-2-yl)ethanone
CID 2335628
2-(1H-benzimidazol-2-ylsulfanyl)-N'-[1-(4-fluorophenyl)ethenyl]acetohydrazide
CID 5187301
2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoic acid
CID 2484010
methyl 2-[2-[2-(2-fluorophenyl)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetate
CID 135780507
2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone
CID 1383157
3-(1H-benzimidazol-2-ylsulfanyl)propanoic acid
CID 720877

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone (CID 2436081) is 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone is O=C(CSc1nc2ccccc2[nH]1)c1ccccc1F.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone?
The InChIKey is YVNIZLGFTLMNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2OS/c16-11-6-2-1-5-10(11)14(19)9-20-15-17-12-7-3-4-8-13(12)18-15/h1-8H,9H2,(H,17,18).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone?
2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone has a molecular weight of 286.33 g/mol, XLogP of 3.68, 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-fluorophenyl)ethanone is sourced from PubChem (CID 2436081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).