2-(2,5-dichlorophenyl)sulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide

C13H13Cl2N3OS — CID 63940436

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ncc[nH]1)C(=O)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H13Cl2N3OS/c1-18(7-12-16-4-5-17-12)13(19)8-20-11-6-9(14)2-3-10(11)15/h2-6H,7-8H2,1H3,(H,16,17)
InChIKeyAGZXIFXCHFSTMA-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.47
Rot. Bonds5

About 2-(2,5-dichlorophenyl)sulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide

2-(2,5-dichlorophenyl)sulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide (PubChem CID 63940436) has the molecular formula C13H13Cl2N3OS and a molecular weight of 330.24 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
PubChem CID63940436
Molecular FormulaC13H13Cl2N3OS
Molecular Weight330.24 g/mol
Exact Mass329.02
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ncc[nH]1)C(=O)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H13Cl2N3OS/c1-18(7-12-16-4-5-17-12)13(19)8-20-11-6-9(14)2-3-10(11)15/h2-6H,7-8H2,1H3,(H,16,17)
InChIKeyAGZXIFXCHFSTMA-UHFFFAOYSA-N
XLogP3.47
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide (CID 63940436) is 2-(2,5-dichlorophenyl)sulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide is CN(Cc1ncc[nH]1)C(=O)CSc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide?
The InChIKey is AGZXIFXCHFSTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3OS/c1-18(7-12-16-4-5-17-12)13(19)8-20-11-6-9(14)2-3-10(11)15/h2-6H,7-8H2,1H3,(H,16,17).
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide?
2-(2,5-dichlorophenyl)sulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide has a molecular weight of 330.24 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 63940436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).