6-fluoro-5-methoxy-1H-benzimidazole

C8H7FN2O — CID 54111406

IUPAC6-fluoro-5-methoxy-1H-benzimidazole
SMILESCOc1cc2nc[nH]c2cc1F
InChIInChI=1S/C8H7FN2O/c1-12-8-3-7-6(2-5(8)9)10-4-11-7/h2-4H,1H3,(H,10,11)
InChIKeyXWFBQSHAZGNULX-UHFFFAOYSA-N
MW166.15 g/mol
LogP1.71
Rot. Bonds1

About 6-fluoro-5-methoxy-1H-benzimidazole

6-fluoro-5-methoxy-1H-benzimidazole (PubChem CID 54111406) has the molecular formula C8H7FN2O and a molecular weight of 166.15 g/mol. Its IUPAC name is 6-fluoro-5-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-5-methoxy-1H-benzimidazole
PubChem CID54111406
Molecular FormulaC8H7FN2O
Molecular Weight166.15 g/mol
Exact Mass166.05
IUPAC Name6-fluoro-5-methoxy-1H-benzimidazole
SMILESCOc1cc2nc[nH]c2cc1F
InChIInChI=1S/C8H7FN2O/c1-12-8-3-7-6(2-5(8)9)10-4-11-7/h2-4H,1H3,(H,10,11)
InChIKeyXWFBQSHAZGNULX-UHFFFAOYSA-N
XLogP1.71
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methoxy-1H-benzimidazole?
The IUPAC name of 6-fluoro-5-methoxy-1H-benzimidazole (CID 54111406) is 6-fluoro-5-methoxy-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-5-methoxy-1H-benzimidazole?
The canonical SMILES for 6-fluoro-5-methoxy-1H-benzimidazole is COc1cc2nc[nH]c2cc1F.
What is the InChIKey of 6-fluoro-5-methoxy-1H-benzimidazole?
The InChIKey is XWFBQSHAZGNULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O/c1-12-8-3-7-6(2-5(8)9)10-4-11-7/h2-4H,1H3,(H,10,11).
What are the key properties of 6-fluoro-5-methoxy-1H-benzimidazole?
6-fluoro-5-methoxy-1H-benzimidazole has a molecular weight of 166.15 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methoxy-1H-benzimidazole is sourced from PubChem (CID 54111406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).