N-(2-benzoyl-4-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride

C18H15Cl2N3O2S — CID 3080479

IUPACN-(2-benzoyl-4-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride
SMILESCl.O=C(CSc1ncc[nH]1)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C18H14ClN3O2S.ClH/c19-13-6-7-15(22-16(23)11-25-18-20-8-9-21-18)14(10-13)17(24)12-4-2-1-3-5-12;/h1-10H,11H2,(H,20,21)(H,22,23);1H
InChIKeyRKTIAUHSSIPIDA-UHFFFAOYSA-N
MW408.31 g/mol
LogP4.45
Rot. Bonds6

About N-(2-benzoyl-4-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride

N-(2-benzoyl-4-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride (PubChem CID 3080479) has the molecular formula C18H15Cl2N3O2S and a molecular weight of 408.31 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride
PubChem CID3080479
Molecular FormulaC18H15Cl2N3O2S
Molecular Weight408.31 g/mol
Exact Mass407.03
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride
SMILESCl.O=C(CSc1ncc[nH]1)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C18H14ClN3O2S.ClH/c19-13-6-7-15(22-16(23)11-25-18-20-8-9-21-18)14(10-13)17(24)12-4-2-1-3-5-12;/h1-10H,11H2,(H,20,21)(H,22,23);1H
InChIKeyRKTIAUHSSIPIDA-UHFFFAOYSA-N
XLogP4.45
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.31
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-benzoyl-4-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide;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

3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-(1H-imidazol-1-ylmethyl)thiophene-2-carboxamide
CID 18376618
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-({[3-(1H-imidazol-1-yl)propyl]amino}methyl)thiophene-2-carboxamide
CID 18376921
N-[1-(4-Acetyl-benzyl)-piperidin-4-yl]-5-chloro-2-[(3H-imidazol-4-ylmethyl)-amino]-benzamide
CID 44403548
1H-Imidazole-1-acetamide, N-(2-benzoyl-4-chlorophenyl)-N-methyl-
CID 3053914
Acetamide, N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-2-(1H-imidazol-2-ylthio)-, monohydrochloride
CID 3080481
Acetamide, N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-2-(1H-imidazol-2-ylthio)-N-methyl-, monohydrochloride
CID 3080483
Methanone, (5-chloro-2-((2-(1H-imidazol-2-ylthio)ethyl)amino)phenyl)phenyl-
CID 3080485
Acetamide, N-(2-benzoylphenyl)-2-(1H-imidazol-2-ylthio)-N-methyl-
CID 3080492
Acetamide, N-(2-benzoyl-4-chlorophenyl)-2-(1H-imidazol-2-ylthio)-N-methyl-, monohydrochloride
CID 3080493
Acetamide, N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-2-((1-ethyl-1H-imidazol-2-yl)thio)-N-methyl-, monohydrochloride
CID 3080498
Acetamide, N-(4-chloro-2-(2-fluorobenzoyl)phenyl)-2-(1H-imidazol-2-ylthio)-N-methyl-, monohydrochloride
CID 3080503
5-chloro-N-(4-chlorophenyl)-2-[3-(1-methylimidazol-2-yl)propanoylamino]benzamide
CID 44530428

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride (CID 3080479) is N-(2-benzoyl-4-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride is Cl.O=C(CSc1ncc[nH]1)Nc1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride?
The InChIKey is RKTIAUHSSIPIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2S.ClH/c19-13-6-7-15(22-16(23)11-25-18-20-8-9-21-18)14(10-13)17(24)12-4-2-1-3-5-12;/h1-10H,11H2,(H,20,21)(H,22,23);1H.
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride?
N-(2-benzoyl-4-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride has a molecular weight of 408.31 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride is sourced from PubChem (CID 3080479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).