2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-piperidin-1-ylethanone

C16H18N6O2 — CID 653316

IUPAC2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-piperidin-1-ylethanone
SMILESNc1nonc1-c1nc2ccccc2n1CC(=O)N1CCCCC1
InChIInChI=1S/C16H18N6O2/c17-15-14(19-24-20-15)16-18-11-6-2-3-7-12(11)22(16)10-13(23)21-8-4-1-5-9-21/h2-3,6-7H,1,4-5,8-10H2,(H2,17,20)
InChIKeyXNXTZUGMNSANOI-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.68
Rot. Bonds3

About 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-piperidin-1-ylethanone

2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-piperidin-1-ylethanone (PubChem CID 653316) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-piperidin-1-ylethanone
PubChem CID653316
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-piperidin-1-ylethanone
SMILESNc1nonc1-c1nc2ccccc2n1CC(=O)N1CCCCC1
InChIInChI=1S/C16H18N6O2/c17-15-14(19-24-20-15)16-18-11-6-2-3-7-12(11)22(16)10-13(23)21-8-4-1-5-9-21/h2-3,6-7H,1,4-5,8-10H2,(H2,17,20)
InChIKeyXNXTZUGMNSANOI-UHFFFAOYSA-N
XLogP1.68
TPSA103.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-piperidin-1-ylethanone (CID 653316) is 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-piperidin-1-ylethanone is Nc1nonc1-c1nc2ccccc2n1CC(=O)N1CCCCC1.
What is the InChIKey of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is XNXTZUGMNSANOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c17-15-14(19-24-20-15)16-18-11-6-2-3-7-12(11)22(16)10-13(23)21-8-4-1-5-9-21/h2-3,6-7H,1,4-5,8-10H2,(H2,17,20).
What are the key properties of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-piperidin-1-ylethanone?
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 326.36 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 653316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).