2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,5-dichlorophenyl)propanamide

C16H13Cl2N3OS — CID 16539514

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,5-dichlorophenyl)propanamide
SMILESCC(Sc1nc2ccccc2[nH]1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H13Cl2N3OS/c1-9(15(22)19-14-8-10(17)6-7-11(14)18)23-16-20-12-4-2-3-5-13(12)21-16/h2-9H,1H3,(H,19,22)(H,20,21)
InChIKeyTTYZKJIXUJKLEG-UHFFFAOYSA-N
MW366.27 g/mol
LogP4.99
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,5-dichlorophenyl)propanamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,5-dichlorophenyl)propanamide (PubChem CID 16539514) has the molecular formula C16H13Cl2N3OS and a molecular weight of 366.27 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,5-dichlorophenyl)propanamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,5-dichlorophenyl)propanamide
PubChem CID16539514
Molecular FormulaC16H13Cl2N3OS
Molecular Weight366.27 g/mol
Exact Mass365.02
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,5-dichlorophenyl)propanamide
SMILESCC(Sc1nc2ccccc2[nH]1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H13Cl2N3OS/c1-9(15(22)19-14-8-10(17)6-7-11(14)18)23-16-20-12-4-2-3-5-13(12)21-16/h2-9H,1H3,(H,19,22)(H,20,21)
InChIKeyTTYZKJIXUJKLEG-UHFFFAOYSA-N
XLogP4.99
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.27
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,5-dichlorophenyl)propanamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,5-dichlorophenyl)propanamide (CID 16539514) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,5-dichlorophenyl)propanamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,5-dichlorophenyl)propanamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,5-dichlorophenyl)propanamide is CC(Sc1nc2ccccc2[nH]1)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,5-dichlorophenyl)propanamide?
The InChIKey is TTYZKJIXUJKLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3OS/c1-9(15(22)19-14-8-10(17)6-7-11(14)18)23-16-20-12-4-2-3-5-13(12)21-16/h2-9H,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,5-dichlorophenyl)propanamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,5-dichlorophenyl)propanamide has a molecular weight of 366.27 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,5-dichlorophenyl)propanamide is sourced from PubChem (CID 16539514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).