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

C19H17Cl2N3O2S — CID 3080493

IUPACN-(2-benzoyl-4-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride
SMILESCN(C(=O)CSc1ncc[nH]1)c1ccc(Cl)cc1C(=O)c1ccccc1.Cl
InChIInChI=1S/C19H16ClN3O2S.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;/h2-11H,12H2,1H3,(H,21,22);1H
InChIKeyNMUGHZWPKUURKX-UHFFFAOYSA-N
MW422.34 g/mol
LogP4.47
Rot. Bonds6

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

N-(2-benzoyl-4-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride (PubChem CID 3080493) has the molecular formula C19H17Cl2N3O2S and a molecular weight of 422.34 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride
PubChem CID3080493
Molecular FormulaC19H17Cl2N3O2S
Molecular Weight422.34 g/mol
Exact Mass421.04
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride
SMILESCN(C(=O)CSc1ncc[nH]1)c1ccc(Cl)cc1C(=O)c1ccccc1.Cl
InChIInChI=1S/C19H16ClN3O2S.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;/h2-11H,12H2,1H3,(H,21,22);1H
InChIKeyNMUGHZWPKUURKX-UHFFFAOYSA-N
XLogP4.47
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.34
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride (CID 3080493) is N-(2-benzoyl-4-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride is CN(C(=O)CSc1ncc[nH]1)c1ccc(Cl)cc1C(=O)c1ccccc1.Cl.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride?
The InChIKey is NMUGHZWPKUURKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2S.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;/h2-11H,12H2,1H3,(H,21,22);1H.
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride?
N-(2-benzoyl-4-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride has a molecular weight of 422.34 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 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)-N-methylacetamide;hydrochloride is sourced from PubChem (CID 3080493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).