4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole

C15H9F2N3OS — CID 31807272

IUPAC4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole
SMILESFc1cc2ncn(Cc3coc(-c4cccs4)n3)c2cc1F
InChIInChI=1S/C15H9F2N3OS/c16-10-4-12-13(5-11(10)17)20(8-18-12)6-9-7-21-15(19-9)14-2-1-3-22-14/h1-5,7-8H,6H2
InChIKeyFWENBYQBVLGWSG-UHFFFAOYSA-N
MW317.32 g/mol
LogP4.08
Rot. Bonds3

About 4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole

4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole (PubChem CID 31807272) has the molecular formula C15H9F2N3OS and a molecular weight of 317.32 g/mol. Its IUPAC name is 4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole
PubChem CID31807272
Molecular FormulaC15H9F2N3OS
Molecular Weight317.32 g/mol
Exact Mass317.04
IUPAC Name4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole
SMILESFc1cc2ncn(Cc3coc(-c4cccs4)n3)c2cc1F
InChIInChI=1S/C15H9F2N3OS/c16-10-4-12-13(5-11(10)17)20(8-18-12)6-9-7-21-15(19-9)14-2-1-3-22-14/h1-5,7-8H,6H2
InChIKeyFWENBYQBVLGWSG-UHFFFAOYSA-N
XLogP4.08
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole (CID 31807272) is 4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole is Fc1cc2ncn(Cc3coc(-c4cccs4)n3)c2cc1F.
What is the InChIKey of 4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole?
The InChIKey is FWENBYQBVLGWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N3OS/c16-10-4-12-13(5-11(10)17)20(8-18-12)6-9-7-21-15(19-9)14-2-1-3-22-14/h1-5,7-8H,6H2.
What are the key properties of 4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole?
4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole has a molecular weight of 317.32 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 31807272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).