ethane;4-fluoro-2,3-dihydro-1-benzothiophene 1-oxide;1-methylbenzimidazole

C18H21FN2OS — CID 171501747

IUPACethane;4-fluoro-2,3-dihydro-1-benzothiophene 1-oxide;1-methylbenzimidazole
SMILESCC.Cn1cnc2ccccc21.O=S1CCc2c(F)cccc21
InChIInChI=1S/C8H7FOS.C8H8N2.C2H6/c9-7-2-1-3-8-6(7)4-5-11(8)10;1-10-6-9-7-4-2-3-5-8(7)10;1-2/h1-3H,4-5H2;2-6H,1H3;1-2H3
InChIKeyUZQNWEXKPKFAQM-UHFFFAOYSA-N
MW332.44 g/mol
LogP4.09
Rot. Bonds

About ethane;4-fluoro-2,3-dihydro-1-benzothiophene 1-oxide;1-methylbenzimidazole

ethane;4-fluoro-2,3-dihydro-1-benzothiophene 1-oxide;1-methylbenzimidazole (PubChem CID 171501747) has the molecular formula C18H21FN2OS and a molecular weight of 332.44 g/mol. Its IUPAC name is ethane;4-fluoro-2,3-dihydro-1-benzothiophene 1-oxide;1-methylbenzimidazole.

Molecular Properties

Compound Nameethane;4-fluoro-2,3-dihydro-1-benzothiophene 1-oxide;1-methylbenzimidazole
PubChem CID171501747
Molecular FormulaC18H21FN2OS
Molecular Weight332.44 g/mol
Exact Mass332.14
IUPAC Nameethane;4-fluoro-2,3-dihydro-1-benzothiophene 1-oxide;1-methylbenzimidazole
SMILESCC.Cn1cnc2ccccc21.O=S1CCc2c(F)cccc21
InChIInChI=1S/C8H7FOS.C8H8N2.C2H6/c9-7-2-1-3-8-6(7)4-5-11(8)10;1-10-6-9-7-4-2-3-5-8(7)10;1-2/h1-3H,4-5H2;2-6H,1H3;1-2H3
InChIKeyUZQNWEXKPKFAQM-UHFFFAOYSA-N
XLogP4.09
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-fluoro-2,3-dihydro-1-benzothiophene 1-oxide;1-methylbenzimidazole?
The IUPAC name of ethane;4-fluoro-2,3-dihydro-1-benzothiophene 1-oxide;1-methylbenzimidazole (CID 171501747) is ethane;4-fluoro-2,3-dihydro-1-benzothiophene 1-oxide;1-methylbenzimidazole.
What is the SMILES notation for ethane;4-fluoro-2,3-dihydro-1-benzothiophene 1-oxide;1-methylbenzimidazole?
The canonical SMILES for ethane;4-fluoro-2,3-dihydro-1-benzothiophene 1-oxide;1-methylbenzimidazole is CC.Cn1cnc2ccccc21.O=S1CCc2c(F)cccc21.
What is the InChIKey of ethane;4-fluoro-2,3-dihydro-1-benzothiophene 1-oxide;1-methylbenzimidazole?
The InChIKey is UZQNWEXKPKFAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FOS.C8H8N2.C2H6/c9-7-2-1-3-8-6(7)4-5-11(8)10;1-10-6-9-7-4-2-3-5-8(7)10;1-2/h1-3H,4-5H2;2-6H,1H3;1-2H3.
What are the key properties of ethane;4-fluoro-2,3-dihydro-1-benzothiophene 1-oxide;1-methylbenzimidazole?
ethane;4-fluoro-2,3-dihydro-1-benzothiophene 1-oxide;1-methylbenzimidazole has a molecular weight of 332.44 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-fluoro-2,3-dihydro-1-benzothiophene 1-oxide;1-methylbenzimidazole is sourced from PubChem (CID 171501747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).