1-(3,4-dichlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone;hydrobromide

C11H11BrCl2N2OS — CID 12845182

IUPAC1-(3,4-dichlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone;hydrobromide
SMILESBr.O=C(CSC1=NCCN1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2N2OS.BrH/c12-8-2-1-7(5-9(8)13)10(16)6-17-11-14-3-4-15-11;/h1-2,5H,3-4,6H2,(H,14,15);1H
InChIKeyMMDGOHSHOHOPGN-UHFFFAOYSA-N
MW370.10 g/mol
LogP3.45
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone;hydrobromide

1-(3,4-dichlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone;hydrobromide (PubChem CID 12845182) has the molecular formula C11H11BrCl2N2OS and a molecular weight of 370.10 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone;hydrobromide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone;hydrobromide
PubChem CID12845182
Molecular FormulaC11H11BrCl2N2OS
Molecular Weight370.10 g/mol
Exact Mass367.92
IUPAC Name1-(3,4-dichlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone;hydrobromide
SMILESBr.O=C(CSC1=NCCN1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2N2OS.BrH/c12-8-2-1-7(5-9(8)13)10(16)6-17-11-14-3-4-15-11;/h1-2,5H,3-4,6H2,(H,14,15);1H
InChIKeyMMDGOHSHOHOPGN-UHFFFAOYSA-N
XLogP3.45
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.10
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone;hydrobromide?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone;hydrobromide (CID 12845182) is 1-(3,4-dichlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone;hydrobromide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone;hydrobromide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone;hydrobromide is Br.O=C(CSC1=NCCN1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone;hydrobromide?
The InChIKey is MMDGOHSHOHOPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2OS.BrH/c12-8-2-1-7(5-9(8)13)10(16)6-17-11-14-3-4-15-11;/h1-2,5H,3-4,6H2,(H,14,15);1H.
What are the key properties of 1-(3,4-dichlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone;hydrobromide?
1-(3,4-dichlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone;hydrobromide has a molecular weight of 370.10 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone;hydrobromide is sourced from PubChem (CID 12845182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).