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

C15H11BrCl2N2OS — CID 2828877

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone;hydrobromide
SMILESBr.O=C(CSc1nc2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl2N2OS.BrH/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);1H
InChIKeyIROMPQWRFOZQPW-UHFFFAOYSA-N
MW418.14 g/mol
LogP5.42
Rot. Bonds4

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

2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone;hydrobromide (PubChem CID 2828877) has the molecular formula C15H11BrCl2N2OS and a molecular weight of 418.14 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone;hydrobromide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone;hydrobromide
PubChem CID2828877
Molecular FormulaC15H11BrCl2N2OS
Molecular Weight418.14 g/mol
Exact Mass415.92
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone;hydrobromide
SMILESBr.O=C(CSc1nc2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl2N2OS.BrH/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);1H
InChIKeyIROMPQWRFOZQPW-UHFFFAOYSA-N
XLogP5.42
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.14
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(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-chlorophenyl)-2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]ethanone
CID 854784
1-(4-aminophenyl)-2-(1H-benzo[f]benzimidazol-2-ylsulfanyl)ethanone
CID 67473771

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone;hydrobromide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone;hydrobromide (CID 2828877) is 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone;hydrobromide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone;hydrobromide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone;hydrobromide is Br.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;hydrobromide?
The InChIKey is IROMPQWRFOZQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2OS.BrH/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);1H.
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone;hydrobromide?
2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dichlorophenyl)ethanone;hydrobromide has a molecular weight of 418.14 g/mol, XLogP of 5.42, 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;hydrobromide is sourced from PubChem (CID 2828877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).