2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetamide

C16H14ClN3OS — CID 40688936

IUPAC2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetamide
SMILESNC(=O)Cn1c(SCc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C16H14ClN3OS/c17-12-7-5-11(6-8-12)10-22-16-19-13-3-1-2-4-14(13)20(16)9-15(18)21/h1-8H,9-10H2,(H2,18,21)
InChIKeyBDZOPMAAJSLSCZ-UHFFFAOYSA-N
MW331.83 g/mol
LogP3.47
Rot. Bonds5

About 2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetamide

2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetamide (PubChem CID 40688936) has the molecular formula C16H14ClN3OS and a molecular weight of 331.83 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetamide
PubChem CID40688936
Molecular FormulaC16H14ClN3OS
Molecular Weight331.83 g/mol
Exact Mass331.05
IUPAC Name2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetamide
SMILESNC(=O)Cn1c(SCc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C16H14ClN3OS/c17-12-7-5-11(6-8-12)10-22-16-19-13-3-1-2-4-14(13)20(16)9-15(18)21/h1-8H,9-10H2,(H2,18,21)
InChIKeyBDZOPMAAJSLSCZ-UHFFFAOYSA-N
XLogP3.47
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetamide (CID 40688936) is 2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetamide is NC(=O)Cn1c(SCc2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetamide?
The InChIKey is BDZOPMAAJSLSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3OS/c17-12-7-5-11(6-8-12)10-22-16-19-13-3-1-2-4-14(13)20(16)9-15(18)21/h1-8H,9-10H2,(H2,18,21).
What are the key properties of 2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetamide?
2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetamide has a molecular weight of 331.83 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 40688936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).