2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone

C17H20N6O3 — CID 16762989

IUPAC2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)Cn2c(-c3nonc3N)nc3ccccc32)CC(C)O1
InChIInChI=1S/C17H20N6O3/c1-10-7-22(8-11(2)25-10)14(24)9-23-13-6-4-3-5-12(13)19-17(23)15-16(18)21-26-20-15/h3-6,10-11H,7-9H2,1-2H3,(H2,18,21)
InChIKeyJNTXCEKLJNFOJF-UHFFFAOYSA-N
MW356.39 g/mol
LogP1.30
Rot. Bonds3

About 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone

2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone (PubChem CID 16762989) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
PubChem CID16762989
Molecular FormulaC17H20N6O3
Molecular Weight356.39 g/mol
Exact Mass356.16
IUPAC Name2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)Cn2c(-c3nonc3N)nc3ccccc32)CC(C)O1
InChIInChI=1S/C17H20N6O3/c1-10-7-22(8-11(2)25-10)14(24)9-23-13-6-4-3-5-12(13)19-17(23)15-16(18)21-26-20-15/h3-6,10-11H,7-9H2,1-2H3,(H2,18,21)
InChIKeyJNTXCEKLJNFOJF-UHFFFAOYSA-N
XLogP1.30
TPSA112.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-(2,6-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone (CID 16762989) is 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone is CC1CN(C(=O)Cn2c(-c3nonc3N)nc3ccccc32)CC(C)O1.
What is the InChIKey of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The InChIKey is JNTXCEKLJNFOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3/c1-10-7-22(8-11(2)25-10)14(24)9-23-13-6-4-3-5-12(13)19-17(23)15-16(18)21-26-20-15/h3-6,10-11H,7-9H2,1-2H3,(H2,18,21).
What are the key properties of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone has a molecular weight of 356.39 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 8 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-(2,6-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 16762989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).