5-fluoro-6-methoxy-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine

C12H12FN5O2 — CID 106406219

IUPAC5-fluoro-6-methoxy-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
SMILESCOc1cc2c(cc1F)nc(N)n2CCc1ncno1
InChIInChI=1S/C12H12FN5O2/c1-19-10-5-9-8(4-7(10)13)17-12(14)18(9)3-2-11-15-6-16-20-11/h4-6H,2-3H2,1H3,(H2,14,17)
InChIKeyRIRRUJWKPUMEDN-UHFFFAOYSA-N
MW277.26 g/mol
LogP1.39
Rot. Bonds4

About 5-fluoro-6-methoxy-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine

5-fluoro-6-methoxy-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine (PubChem CID 106406219) has the molecular formula C12H12FN5O2 and a molecular weight of 277.26 g/mol. Its IUPAC name is 5-fluoro-6-methoxy-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5-fluoro-6-methoxy-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
PubChem CID106406219
Molecular FormulaC12H12FN5O2
Molecular Weight277.26 g/mol
Exact Mass277.10
IUPAC Name5-fluoro-6-methoxy-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
SMILESCOc1cc2c(cc1F)nc(N)n2CCc1ncno1
InChIInChI=1S/C12H12FN5O2/c1-19-10-5-9-8(4-7(10)13)17-12(14)18(9)3-2-11-15-6-16-20-11/h4-6H,2-3H2,1H3,(H2,14,17)
InChIKeyRIRRUJWKPUMEDN-UHFFFAOYSA-N
XLogP1.39
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methoxy-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine?
The IUPAC name of 5-fluoro-6-methoxy-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine (CID 106406219) is 5-fluoro-6-methoxy-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 5-fluoro-6-methoxy-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 5-fluoro-6-methoxy-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine is COc1cc2c(cc1F)nc(N)n2CCc1ncno1.
What is the InChIKey of 5-fluoro-6-methoxy-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine?
The InChIKey is RIRRUJWKPUMEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN5O2/c1-19-10-5-9-8(4-7(10)13)17-12(14)18(9)3-2-11-15-6-16-20-11/h4-6H,2-3H2,1H3,(H2,14,17).
What are the key properties of 5-fluoro-6-methoxy-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine?
5-fluoro-6-methoxy-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine has a molecular weight of 277.26 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methoxy-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 106406219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).