2-(2,4-dichlorophenoxy)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride

C23H23Cl3N4O2S — CID 44909450

About 2-(2,4-dichlorophenoxy)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride

2-(2,4-dichlorophenoxy)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride (PubChem CID 44909450) has the molecular formula C23H23Cl3N4O2S and a molecular weight of 525.89 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride.

Molecular Properties

• Compound Name: 2-(2,4-dichlorophenoxy)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride
• PubChem CID: 44909450
• Molecular Formula: C23H23Cl3N4O2S
• Molecular Weight: 525.89 g/mol
• Exact Mass: 524.06
• IUPAC Name: 2-(2,4-dichlorophenoxy)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride
• SMILES: Cc1cc(C)c2sc(N(CCCn3ccnc3)C(=O)COc3ccc(Cl)cc3Cl)nc2c1.Cl
• InChI: InChI=1S/C23H22Cl2N4O2S.ClH/c1-15-10-16(2)22-19(11-15)27-23(32-22)29(8-3-7-28-9-6-26-14-28)21(30)13-31-20-5-4-17(24)12-18(20)25;/h4-6,9-12,14H,3,7-8,13H2,1-2H3;1H
• InChIKey: SGEIUGNYNQDHBN-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 60.25 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.89
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride?

The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride (CID 44909450) is 2-(2,4-dichlorophenoxy)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride.

What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride?

The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride is Cc1cc(C)c2sc(N(CCCn3ccnc3)C(=O)COc3ccc(Cl)cc3Cl)nc2c1.Cl.

What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride?

The InChIKey is SGEIUGNYNQDHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N4O2S.ClH/c1-15-10-16(2)22-19(11-15)27-23(32-22)29(8-3-7-28-9-6-26-14-28)21(30)13-31-20-5-4-17(24)12-18(20)25;/h4-6,9-12,14H,3,7-8,13H2,1-2H3;1H.

What are the key properties of 2-(2,4-dichlorophenoxy)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride?

2-(2,4-dichlorophenoxy)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride has a molecular weight of 525.89 g/mol, XLogP of 6.34, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dichlorophenoxy)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride is sourced from PubChem (CID 44909450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).