2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone;hydrobromide

C14H19BrN2OS — CID 45132204

IUPAC2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone;hydrobromide
SMILESBr.Cc1cc(C)c(C(=O)CSC2=NCCN2)c(C)c1
InChIInChI=1S/C14H18N2OS.BrH/c1-9-6-10(2)13(11(3)7-9)12(17)8-18-14-15-4-5-16-14;/h6-7H,4-5,8H2,1-3H3,(H,15,16);1H
InChIKeyNZNTUXUXZHCBSR-UHFFFAOYSA-N
MW343.29 g/mol
LogP3.06
Rot. Bonds3

About 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone;hydrobromide

2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone;hydrobromide (PubChem CID 45132204) has the molecular formula C14H19BrN2OS and a molecular weight of 343.29 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone;hydrobromide.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone;hydrobromide
PubChem CID45132204
Molecular FormulaC14H19BrN2OS
Molecular Weight343.29 g/mol
Exact Mass342.04
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone;hydrobromide
SMILESBr.Cc1cc(C)c(C(=O)CSC2=NCCN2)c(C)c1
InChIInChI=1S/C14H18N2OS.BrH/c1-9-6-10(2)13(11(3)7-9)12(17)8-18-14-15-4-5-16-14;/h6-7H,4-5,8H2,1-3H3,(H,15,16);1H
InChIKeyNZNTUXUXZHCBSR-UHFFFAOYSA-N
XLogP3.06
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone;hydrobromide?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone;hydrobromide (CID 45132204) is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone;hydrobromide.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone;hydrobromide?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone;hydrobromide is Br.Cc1cc(C)c(C(=O)CSC2=NCCN2)c(C)c1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone;hydrobromide?
The InChIKey is NZNTUXUXZHCBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS.BrH/c1-9-6-10(2)13(11(3)7-9)12(17)8-18-14-15-4-5-16-14;/h6-7H,4-5,8H2,1-3H3,(H,15,16);1H.
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone;hydrobromide?
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanone;hydrobromide has a molecular weight of 343.29 g/mol, XLogP of 3.06, 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-(2,4,6-trimethylphenyl)ethanone;hydrobromide is sourced from PubChem (CID 45132204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).