2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide

C16H14FN3OS — CID 941555

IUPAC2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide
SMILESNC(=O)CSc1nc2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C16H14FN3OS/c17-12-6-2-1-5-11(12)9-20-14-8-4-3-7-13(14)19-16(20)22-10-15(18)21/h1-8H,9-10H2,(H2,18,21)
InChIKeyMOVNRPIFZIRJNO-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.80
Rot. Bonds5

About 2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide

2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide (PubChem CID 941555) has the molecular formula C16H14FN3OS and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide
PubChem CID941555
Molecular FormulaC16H14FN3OS
Molecular Weight315.37 g/mol
Exact Mass315.08
IUPAC Name2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide
SMILESNC(=O)CSc1nc2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C16H14FN3OS/c17-12-6-2-1-5-11(12)9-20-14-8-4-3-7-13(14)19-16(20)22-10-15(18)21/h1-8H,9-10H2,(H2,18,21)
InChIKeyMOVNRPIFZIRJNO-UHFFFAOYSA-N
XLogP2.80
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide (CID 941555) is 2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide is NC(=O)CSc1nc2ccccc2n1Cc1ccccc1F.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide?
The InChIKey is MOVNRPIFZIRJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3OS/c17-12-6-2-1-5-11(12)9-20-14-8-4-3-7-13(14)19-16(20)22-10-15(18)21/h1-8H,9-10H2,(H2,18,21).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide?
2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide has a molecular weight of 315.37 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 941555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).