2-(1H-benzimidazol-2-ylsulfanyl)-N-[(4-fluorophenyl)methyl]acetamide

C16H14FN3OS — CID 2080354

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)NCc1ccc(F)cc1
InChIInChI=1S/C16H14FN3OS/c17-12-7-5-11(6-8-12)9-18-15(21)10-22-16-19-13-3-1-2-4-14(13)20-16/h1-8H,9-10H2,(H,18,21)(H,19,20)
InChIKeyINCMJZPMLQTEKS-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.11
Rot. Bonds5

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(4-fluorophenyl)methyl]acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 2080354) has the molecular formula C16H14FN3OS and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID2080354
Molecular FormulaC16H14FN3OS
Molecular Weight315.37 g/mol
Exact Mass315.08
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)NCc1ccc(F)cc1
InChIInChI=1S/C16H14FN3OS/c17-12-7-5-11(6-8-12)9-18-15(21)10-22-16-19-13-3-1-2-4-14(13)20-16/h1-8H,9-10H2,(H,18,21)(H,19,20)
InChIKeyINCMJZPMLQTEKS-UHFFFAOYSA-N
XLogP3.11
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.11
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-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(4-fluorophenyl)methyl]acetamide (CID 2080354) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(4-fluorophenyl)methyl]acetamide is O=C(CSc1nc2ccccc2[nH]1)NCc1ccc(F)cc1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is INCMJZPMLQTEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3OS/c17-12-7-5-11(6-8-12)9-18-15(21)10-22-16-19-13-3-1-2-4-14(13)20-16/h1-8H,9-10H2,(H,18,21)(H,19,20).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(4-fluorophenyl)methyl]acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 315.37 g/mol, XLogP of 3.11, 5 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-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 2080354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).