4-[6-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine

C15H11FN6O — CID 164861697

IUPAC4-[6-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc2ccc(F)cc2n1Cc1cccnc1
InChIInChI=1S/C15H11FN6O/c16-10-3-4-11-12(6-10)22(8-9-2-1-5-18-7-9)15(19-11)13-14(17)21-23-20-13/h1-7H,8H2,(H2,17,21)
InChIKeyKSKHSSZNQUKBQN-UHFFFAOYSA-N
MW310.29 g/mol
LogP2.25
Rot. Bonds3

About 4-[6-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine

4-[6-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 164861697) has the molecular formula C15H11FN6O and a molecular weight of 310.29 g/mol. Its IUPAC name is 4-[6-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[6-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID164861697
Molecular FormulaC15H11FN6O
Molecular Weight310.29 g/mol
Exact Mass310.10
IUPAC Name4-[6-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc2ccc(F)cc2n1Cc1cccnc1
InChIInChI=1S/C15H11FN6O/c16-10-3-4-11-12(6-10)22(8-9-2-1-5-18-7-9)15(19-11)13-14(17)21-23-20-13/h1-7H,8H2,(H2,17,21)
InChIKeyKSKHSSZNQUKBQN-UHFFFAOYSA-N
XLogP2.25
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[6-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (CID 164861697) is 4-[6-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[6-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[6-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1nc2ccc(F)cc2n1Cc1cccnc1.
What is the InChIKey of 4-[6-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is KSKHSSZNQUKBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN6O/c16-10-3-4-11-12(6-10)22(8-9-2-1-5-18-7-9)15(19-11)13-14(17)21-23-20-13/h1-7H,8H2,(H2,17,21).
What are the key properties of 4-[6-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
4-[6-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 310.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 164861697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).