2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone

C15H10Cl2N2OS — CID 747420

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone
SMILESO=C(CSc1nc2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl2N2OS/c16-10-6-5-9(7-11(10)17)14(20)8-21-15-18-12-3-1-2-4-13(12)19-15/h1-7H,8H2,(H,18,19)
InChIKeyOWFHTVPPOGULNI-UHFFFAOYSA-N
MW337.23 g/mol
LogP4.84
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone

2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone (PubChem CID 747420) has the molecular formula C15H10Cl2N2OS and a molecular weight of 337.23 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone
PubChem CID747420
Molecular FormulaC15H10Cl2N2OS
Molecular Weight337.23 g/mol
Exact Mass335.99
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone
SMILESO=C(CSc1nc2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl2N2OS/c16-10-6-5-9(7-11(10)17)14(20)8-21-15-18-12-3-1-2-4-13(12)19-15/h1-7H,8H2,(H,18,19)
InChIKeyOWFHTVPPOGULNI-UHFFFAOYSA-N
XLogP4.84
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone;hydrobromide
CID 2828877
2-(1H-benzimidazol-2-ylsulfanyl)-1-(3-chlorophenyl)ethanone
CID 43218263
2-(1H-benzimidazol-2-ylsulfanyl)-1-(9H-fluoren-3-yl)ethanone
CID 2420704
2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone
CID 1383157
2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,4-dimethylphenyl)ethanone
CID 853110
2-[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(3,4-dichlorophenyl)ethanone
CID 6255195
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-(1-benzofuran-2-yl)ethanone
CID 2335628
2-[[5-(1H-benzimidazol-2-ylsulfanyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-chlorophenyl)ethanone bromide
CID 21176561
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

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone (CID 747420) is 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone is O=C(CSc1nc2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone?
The InChIKey is OWFHTVPPOGULNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2OS/c16-10-6-5-9(7-11(10)17)14(20)8-21-15-18-12-3-1-2-4-13(12)19-15/h1-7H,8H2,(H,18,19).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone?
2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone has a molecular weight of 337.23 g/mol, XLogP of 4.84, 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-(3,4-dichlorophenyl)ethanone is sourced from PubChem (CID 747420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).