N-(2-benzoyl-4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride

C19H19Cl2N3O2S — CID 3080473

IUPACN-(2-benzoyl-4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride
SMILESCN(C(=O)CSC1=NCCN1)c1ccc(Cl)cc1C(=O)c1ccccc1.Cl
InChIInChI=1S/C19H18ClN3O2S.ClH/c1-23(17(24)12-26-19-21-9-10-22-19)16-8-7-14(20)11-15(16)18(25)13-5-3-2-4-6-13;/h2-8,11H,9-10,12H2,1H3,(H,21,22);1H
InChIKeyCFTGYIGLOHNKGF-UHFFFAOYSA-N
MW424.35 g/mol
LogP3.65
Rot. Bonds5

About N-(2-benzoyl-4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride

N-(2-benzoyl-4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride (PubChem CID 3080473) has the molecular formula C19H19Cl2N3O2S and a molecular weight of 424.35 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride
PubChem CID3080473
Molecular FormulaC19H19Cl2N3O2S
Molecular Weight424.35 g/mol
Exact Mass423.06
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride
SMILESCN(C(=O)CSC1=NCCN1)c1ccc(Cl)cc1C(=O)c1ccccc1.Cl
InChIInChI=1S/C19H18ClN3O2S.ClH/c1-23(17(24)12-26-19-21-9-10-22-19)16-8-7-14(20)11-15(16)18(25)13-5-3-2-4-6-13;/h2-8,11H,9-10,12H2,1H3,(H,21,22);1H
InChIKeyCFTGYIGLOHNKGF-UHFFFAOYSA-N
XLogP3.65
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-benzoyl-4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

Avizafone
CID 71968
Acetamide, 2-(acetylamino)-N-(2-benzoyl-4-chlorophenyl)-
CID 200017
Lorzafone
CID 54760
N-(2-Benzoyl-4-chlorophenyl)-N-methylglycinamide
CID 12746775
Acetanilide, 2-acetamido-2'-benzoyl-4'-chloro-N-methyl-
CID 41218
N-(Glycylglycyl)-N-methyl-2',5-dichloro-2-amino-benzophenone hydrate
CID 54759
Acetamide, N-(2-benzoyl-4-chlorophenyl)-2-(diethylamino)-
CID 199317
2-[[2-[4-(4-Chlorophenyl)-1-piperazinyl]-2-oxoethyl]thio]-3-ethyl-4-quinazolinone
CID 980267
N-{2-[4-oxo-2-[(2-oxo-2-phenylethyl)thio]quinazolin-3(4H)-yl]ethyl}acetamide
CID 3244426
3-(4-chlorophenyl)-2-{[2-(dimethylamino)propyl]sulfanyl}quinazolin-4(3H)-one
CID 3950432
N-(2-chlorophenyl)-2-({3-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-3,4-dihydroquinazolin-2-yl}thio)acetamide
CID 4625345
{[(2-Benzoyl-4-chlorophenyl)carbamoyl]methyl}trimethylazanium bromide
CID 16192587

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride (CID 3080473) is N-(2-benzoyl-4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride is CN(C(=O)CSC1=NCCN1)c1ccc(Cl)cc1C(=O)c1ccccc1.Cl.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride?
The InChIKey is CFTGYIGLOHNKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S.ClH/c1-23(17(24)12-26-19-21-9-10-22-19)16-8-7-14(20)11-15(16)18(25)13-5-3-2-4-6-13;/h2-8,11H,9-10,12H2,1H3,(H,21,22);1H.
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride?
N-(2-benzoyl-4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride has a molecular weight of 424.35 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride is sourced from PubChem (CID 3080473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).