N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride

C18H16Cl3N3O2S — CID 3080475

IUPACN-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride
SMILESCl.O=C(CSC1=NCCN1)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl
InChIInChI=1S/C18H15Cl2N3O2S.ClH/c19-11-5-6-15(23-16(24)10-26-18-21-7-8-22-18)13(9-11)17(25)12-3-1-2-4-14(12)20;/h1-6,9H,7-8,10H2,(H,21,22)(H,23,24);1H
InChIKeyLKESZYPTPRRTHF-UHFFFAOYSA-N
MW444.77 g/mol
LogP4.28
Rot. Bonds5

About N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride

N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride (PubChem CID 3080475) has the molecular formula C18H16Cl3N3O2S and a molecular weight of 444.77 g/mol. Its IUPAC name is N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride
PubChem CID3080475
Molecular FormulaC18H16Cl3N3O2S
Molecular Weight444.77 g/mol
Exact Mass443.00
IUPAC NameN-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride
SMILESCl.O=C(CSC1=NCCN1)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl
InChIInChI=1S/C18H15Cl2N3O2S.ClH/c19-11-5-6-15(23-16(24)10-26-18-21-7-8-22-18)13(9-11)17(25)12-3-1-2-4-14(12)20;/h1-6,9H,7-8,10H2,(H,21,22)(H,23,24);1H
InChIKeyLKESZYPTPRRTHF-UHFFFAOYSA-N
XLogP4.28
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.77
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride with MolForge

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Related Compounds

N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-(1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride
CID 67947833
N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-(1H-imidazol-2-ylsulfanyl)acetamide
CID 67947834
N-(2-benzoyl-4-chlorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
CID 5155089
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide
CID 134064767
2-amino-N-[2-[4-chloro-2-(2-chlorobenzoyl)anilino]-2-oxoethyl]acetamide
CID 21153465
2,4-dichloro-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]benzamide
CID 4029873
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride
CID 45133479
3-(benzenesulfonyl)-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]propanamide
CID 41235092
N-(2-benzoyl-4-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2110361
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-3-ethylsulfanylbenzamide
CID 43980891
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-benzoyl-4-chlorophenyl)acetamide
CID 135516370
N-(2-benzoyl-4-chlorophenyl)-2-piperidin-1-ylacetamide;hydrochloride
CID 3039234

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride?
The IUPAC name of N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride (CID 3080475) is N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride.
What is the SMILES notation for N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride?
The canonical SMILES for N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride is Cl.O=C(CSC1=NCCN1)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl.
What is the InChIKey of N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride?
The InChIKey is LKESZYPTPRRTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2S.ClH/c19-11-5-6-15(23-16(24)10-26-18-21-7-8-22-18)13(9-11)17(25)12-3-1-2-4-14(12)20;/h1-6,9H,7-8,10H2,(H,21,22)(H,23,24);1H.
What are the key properties of N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride?
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride has a molecular weight of 444.77 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride is sourced from PubChem (CID 3080475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).