2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone;hydrobromide

C11H13BrN2OS — CID 5458345

IUPAC2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone;hydrobromide
SMILESBr.O=C(CSC1=NCCN1)c1ccccc1
InChIInChI=1S/C11H12N2OS.BrH/c14-10(9-4-2-1-3-5-9)8-15-11-12-6-7-13-11;/h1-5H,6-8H2,(H,12,13);1H
InChIKeyUFGCDDZQIFGJKH-UHFFFAOYSA-N
MW301.21 g/mol
LogP2.14
Rot. Bonds3

About 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone;hydrobromide

2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone;hydrobromide (PubChem CID 5458345) has the molecular formula C11H13BrN2OS and a molecular weight of 301.21 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone;hydrobromide.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone;hydrobromide
PubChem CID5458345
Molecular FormulaC11H13BrN2OS
Molecular Weight301.21 g/mol
Exact Mass299.99
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone;hydrobromide
SMILESBr.O=C(CSC1=NCCN1)c1ccccc1
InChIInChI=1S/C11H12N2OS.BrH/c14-10(9-4-2-1-3-5-9)8-15-11-12-6-7-13-11;/h1-5H,6-8H2,(H,12,13);1H
InChIKeyUFGCDDZQIFGJKH-UHFFFAOYSA-N
XLogP2.14
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone;hydrobromide?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone;hydrobromide (CID 5458345) is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone;hydrobromide.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone;hydrobromide?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone;hydrobromide is Br.O=C(CSC1=NCCN1)c1ccccc1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone;hydrobromide?
The InChIKey is UFGCDDZQIFGJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS.BrH/c14-10(9-4-2-1-3-5-9)8-15-11-12-6-7-13-11;/h1-5H,6-8H2,(H,12,13);1H.
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone;hydrobromide?
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone;hydrobromide has a molecular weight of 301.21 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone;hydrobromide is sourced from PubChem (CID 5458345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).