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

C15H12N6O — CID 723233

IUPAC4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc2ccccc2n1Cc1ccncc1
InChIInChI=1S/C15H12N6O/c16-14-13(19-22-20-14)15-18-11-3-1-2-4-12(11)21(15)9-10-5-7-17-8-6-10/h1-8H,9H2,(H2,16,20)
InChIKeyLXADAVBNVFYEBW-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.11
Rot. Bonds3

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

4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 723233) has the molecular formula C15H12N6O and a molecular weight of 292.30 g/mol. Its IUPAC name is 4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID723233
Molecular FormulaC15H12N6O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc2ccccc2n1Cc1ccncc1
InChIInChI=1S/C15H12N6O/c16-14-13(19-22-20-14)15-18-11-3-1-2-4-12(11)21(15)9-10-5-7-17-8-6-10/h1-8H,9H2,(H2,16,20)
InChIKeyLXADAVBNVFYEBW-UHFFFAOYSA-N
XLogP2.11
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (CID 723233) is 4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1nc2ccccc2n1Cc1ccncc1.
What is the InChIKey of 4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is LXADAVBNVFYEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O/c16-14-13(19-22-20-14)15-18-11-3-1-2-4-12(11)21(15)9-10-5-7-17-8-6-10/h1-8H,9H2,(H2,16,20).
What are the key properties of 4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 292.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 723233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).