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

C11H9ClFN5O — CID 106406198

IUPAC6-chloro-5-fluoro-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
SMILESNc1nc2cc(F)c(Cl)cc2n1CCc1ncno1
InChIInChI=1S/C11H9ClFN5O/c12-6-3-9-8(4-7(6)13)17-11(14)18(9)2-1-10-15-5-16-19-10/h3-5H,1-2H2,(H2,14,17)
InChIKeyCAGWKXXYOJSGAW-UHFFFAOYSA-N
MW281.68 g/mol
LogP2.04
Rot. Bonds3

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

6-chloro-5-fluoro-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine (PubChem CID 106406198) has the molecular formula C11H9ClFN5O and a molecular weight of 281.68 g/mol. Its IUPAC name is 6-chloro-5-fluoro-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-5-fluoro-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
PubChem CID106406198
Molecular FormulaC11H9ClFN5O
Molecular Weight281.68 g/mol
Exact Mass281.05
IUPAC Name6-chloro-5-fluoro-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
SMILESNc1nc2cc(F)c(Cl)cc2n1CCc1ncno1
InChIInChI=1S/C11H9ClFN5O/c12-6-3-9-8(4-7(6)13)17-11(14)18(9)2-1-10-15-5-16-19-10/h3-5H,1-2H2,(H2,14,17)
InChIKeyCAGWKXXYOJSGAW-UHFFFAOYSA-N
XLogP2.04
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.68
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine?
The IUPAC name of 6-chloro-5-fluoro-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine (CID 106406198) is 6-chloro-5-fluoro-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 6-chloro-5-fluoro-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 6-chloro-5-fluoro-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine is Nc1nc2cc(F)c(Cl)cc2n1CCc1ncno1.
What is the InChIKey of 6-chloro-5-fluoro-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine?
The InChIKey is CAGWKXXYOJSGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN5O/c12-6-3-9-8(4-7(6)13)17-11(14)18(9)2-1-10-15-5-16-19-10/h3-5H,1-2H2,(H2,14,17).
What are the key properties of 6-chloro-5-fluoro-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine?
6-chloro-5-fluoro-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine has a molecular weight of 281.68 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 106406198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).