2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylphenyl)ethanone

C21H14F2N2OS — CID 1046644

IUPAC2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylphenyl)ethanone
SMILESO=C(CSc1nc2cc(F)c(F)cc2[nH]1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H14F2N2OS/c22-16-10-18-19(11-17(16)23)25-21(24-18)27-12-20(26)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-11H,12H2,(H,24,25)
InChIKeyJVNJWSSVWGHJKO-UHFFFAOYSA-N
MW380.42 g/mol
LogP5.48
Rot. Bonds5

About 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylphenyl)ethanone

2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylphenyl)ethanone (PubChem CID 1046644) has the molecular formula C21H14F2N2OS and a molecular weight of 380.42 g/mol. Its IUPAC name is 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylphenyl)ethanone.

Molecular Properties

Compound Name2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylphenyl)ethanone
PubChem CID1046644
Molecular FormulaC21H14F2N2OS
Molecular Weight380.42 g/mol
Exact Mass380.08
IUPAC Name2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylphenyl)ethanone
SMILESO=C(CSc1nc2cc(F)c(F)cc2[nH]1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H14F2N2OS/c22-16-10-18-19(11-17(16)23)25-21(24-18)27-12-20(26)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-11H,12H2,(H,24,25)
InChIKeyJVNJWSSVWGHJKO-UHFFFAOYSA-N
XLogP5.48
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.42
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylphenyl)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-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylphenyl)ethanone
CID 2858387
1-(4-aminophenyl)-2-(1H-benzo[f]benzimidazol-2-ylsulfanyl)ethanone
CID 67473771
1-(4-chlorophenyl)-2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]ethanone
CID 854784
2-benzylsulfanyl-5,6-difluoro-1H-benzimidazole
CID 52558968
3-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]propanoic acid
CID 84616870
4-chloro-N'-[2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 34375476
2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone
CID 747420
2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone
CID 2436081
2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone;hydrobromide
CID 2828877
2-[2-(benzenesulfonyl)ethylsulfanyl]-5,6-difluoro-1H-benzimidazole
CID 34382170
2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 55532408
2-amino-8-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,7-dihydropurin-6-one
CID 135566684

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylphenyl)ethanone?
The IUPAC name of 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylphenyl)ethanone (CID 1046644) is 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylphenyl)ethanone.
What is the SMILES notation for 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylphenyl)ethanone?
The canonical SMILES for 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylphenyl)ethanone is O=C(CSc1nc2cc(F)c(F)cc2[nH]1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylphenyl)ethanone?
The InChIKey is JVNJWSSVWGHJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2OS/c22-16-10-18-19(11-17(16)23)25-21(24-18)27-12-20(26)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-11H,12H2,(H,24,25).
What are the key properties of 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylphenyl)ethanone?
2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylphenyl)ethanone has a molecular weight of 380.42 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylphenyl)ethanone is sourced from PubChem (CID 1046644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).