1-[1-[2-(2-fluorophenoxy)ethyl]benzimidazol-2-yl]sulfanylpropan-2-one

C18H17FN2O2S — CID 134594636

IUPAC1-[1-[2-(2-fluorophenoxy)ethyl]benzimidazol-2-yl]sulfanylpropan-2-one
SMILESCC(=O)CSc1nc2ccccc2n1CCOc1ccccc1F
InChIInChI=1S/C18H17FN2O2S/c1-13(22)12-24-18-20-15-7-3-4-8-16(15)21(18)10-11-23-17-9-5-2-6-14(17)19/h2-9H,10-12H2,1H3
InChIKeyXSDPHCNXUDSWEO-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.94
Rot. Bonds7

About 1-[1-[2-(2-fluorophenoxy)ethyl]benzimidazol-2-yl]sulfanylpropan-2-one

1-[1-[2-(2-fluorophenoxy)ethyl]benzimidazol-2-yl]sulfanylpropan-2-one (PubChem CID 134594636) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[1-[2-(2-fluorophenoxy)ethyl]benzimidazol-2-yl]sulfanylpropan-2-one.

Molecular Properties

Compound Name1-[1-[2-(2-fluorophenoxy)ethyl]benzimidazol-2-yl]sulfanylpropan-2-one
PubChem CID134594636
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC Name1-[1-[2-(2-fluorophenoxy)ethyl]benzimidazol-2-yl]sulfanylpropan-2-one
SMILESCC(=O)CSc1nc2ccccc2n1CCOc1ccccc1F
InChIInChI=1S/C18H17FN2O2S/c1-13(22)12-24-18-20-15-7-3-4-8-16(15)21(18)10-11-23-17-9-5-2-6-14(17)19/h2-9H,10-12H2,1H3
InChIKeyXSDPHCNXUDSWEO-UHFFFAOYSA-N
XLogP3.94
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-fluorophenoxy)ethyl]benzimidazol-2-yl]sulfanylpropan-2-one?
The IUPAC name of 1-[1-[2-(2-fluorophenoxy)ethyl]benzimidazol-2-yl]sulfanylpropan-2-one (CID 134594636) is 1-[1-[2-(2-fluorophenoxy)ethyl]benzimidazol-2-yl]sulfanylpropan-2-one.
What is the SMILES notation for 1-[1-[2-(2-fluorophenoxy)ethyl]benzimidazol-2-yl]sulfanylpropan-2-one?
The canonical SMILES for 1-[1-[2-(2-fluorophenoxy)ethyl]benzimidazol-2-yl]sulfanylpropan-2-one is CC(=O)CSc1nc2ccccc2n1CCOc1ccccc1F.
What is the InChIKey of 1-[1-[2-(2-fluorophenoxy)ethyl]benzimidazol-2-yl]sulfanylpropan-2-one?
The InChIKey is XSDPHCNXUDSWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c1-13(22)12-24-18-20-15-7-3-4-8-16(15)21(18)10-11-23-17-9-5-2-6-14(17)19/h2-9H,10-12H2,1H3.
What are the key properties of 1-[1-[2-(2-fluorophenoxy)ethyl]benzimidazol-2-yl]sulfanylpropan-2-one?
1-[1-[2-(2-fluorophenoxy)ethyl]benzimidazol-2-yl]sulfanylpropan-2-one has a molecular weight of 344.41 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-fluorophenoxy)ethyl]benzimidazol-2-yl]sulfanylpropan-2-one is sourced from PubChem (CID 134594636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).