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

C19H21Cl2N3OS — CID 3080488

IUPACN-(2-benzyl-4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride
SMILESCN(C(=O)CSC1=NCCN1)c1ccc(Cl)cc1Cc1ccccc1.Cl
InChIInChI=1S/C19H20ClN3OS.ClH/c1-23(18(24)13-25-19-21-9-10-22-19)17-8-7-16(20)12-15(17)11-14-5-3-2-4-6-14;/h2-8,12H,9-11,13H2,1H3,(H,21,22);1H
InChIKeyISYVUKBRKLDGES-UHFFFAOYSA-N
MW410.37 g/mol
LogP4.01
Rot. Bonds5

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

N-(2-benzyl-4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride (PubChem CID 3080488) has the molecular formula C19H21Cl2N3OS and a molecular weight of 410.37 g/mol. Its IUPAC name is N-(2-benzyl-4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-benzyl-4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride
PubChem CID3080488
Molecular FormulaC19H21Cl2N3OS
Molecular Weight410.37 g/mol
Exact Mass409.08
IUPAC NameN-(2-benzyl-4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride
SMILESCN(C(=O)CSC1=NCCN1)c1ccc(Cl)cc1Cc1ccccc1.Cl
InChIInChI=1S/C19H20ClN3OS.ClH/c1-23(18(24)13-25-19-21-9-10-22-19)17-8-7-16(20)12-15(17)11-14-5-3-2-4-6-14;/h2-8,12H,9-11,13H2,1H3,(H,21,22);1H
InChIKeyISYVUKBRKLDGES-UHFFFAOYSA-N
XLogP4.01
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-benzyl-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

(2E)-2-(benzylimino)-N-(4-chlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 917438
2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]-N-cyclopentylacetamide
CID 1214278
2-[(4Z)-4-[(3,4-dichlorophenyl)methylidene]-1-(2-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide
CID 2411944
2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-chlorophenyl)propanamide
CID 3352225
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylphenyl)acetamide hydrochloride
CID 12005940
N-(2-benzyl-4-chlorophenyl)-2-(diethylamino)acetamide hydrochloride
CID 198247
Acetamide, N-(2-benzoyl-4-chlorophenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-N-methyl-, monohydrochloride
CID 3080473
Acetamide, N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride
CID 3080475
Methanone, (5-chloro-2-((2-((4,5-dihydro-1H-imidazol-2-yl)thio)ethyl)amino)phenyl)phenyl-
CID 3080486
N-(4-chloro-2-methylphenyl)-2-[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio]acetamide
CID 135546882
N-(4-{[4-(2,4-dichlorophenyl)-3-prop-2-enyl-1,3-thiazolin-2-ylidene]azamethyl} phenyl)acetamide
CID 2131717
2-[(6-Chloro-1-methyl-2-oxo-1,2-dihydroquinolin-4-YL)sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 16008388

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride?
The IUPAC name of N-(2-benzyl-4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride (CID 3080488) is N-(2-benzyl-4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-(2-benzyl-4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride?
The canonical SMILES for N-(2-benzyl-4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride is CN(C(=O)CSC1=NCCN1)c1ccc(Cl)cc1Cc1ccccc1.Cl.
What is the InChIKey of N-(2-benzyl-4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride?
The InChIKey is ISYVUKBRKLDGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3OS.ClH/c1-23(18(24)13-25-19-21-9-10-22-19)17-8-7-16(20)12-15(17)11-14-5-3-2-4-6-14;/h2-8,12H,9-11,13H2,1H3,(H,21,22);1H.
What are the key properties of N-(2-benzyl-4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride?
N-(2-benzyl-4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride has a molecular weight of 410.37 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride is sourced from PubChem (CID 3080488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).