5-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-1,3-dimethylbenzimidazol-2-one

C19H18N8O3 — CID 68872396

About 5-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-1,3-dimethylbenzimidazol-2-one

5-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-1,3-dimethylbenzimidazol-2-one (PubChem CID 68872396) has the molecular formula C19H18N8O3 and a molecular weight of 406.41 g/mol. Its IUPAC name is 5-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

• Compound Name: 5-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-1,3-dimethylbenzimidazol-2-one
• PubChem CID: 68872396
• Molecular Formula: C19H18N8O3
• Molecular Weight: 406.41 g/mol
• Exact Mass: 406.15
• IUPAC Name: 5-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-1,3-dimethylbenzimidazol-2-one
• SMILES: CCn1c(-c2nonc2N)nc2cnc(Oc3ccc4c(c3)n(C)c(=O)n4C)cc21
• InChI: InChI=1S/C19H18N8O3/c1-4-27-13-8-15(21-9-11(13)22-18(27)16-17(20)24-30-23-16)29-10-5-6-12-14(7-10)26(3)19(28)25(12)2/h5-9H,4H2,1-3H3,(H2,20,24)
• InChIKey: QCIDIVVINGECSJ-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 131.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.41
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-1,3-dimethylbenzimidazol-2-one?

The IUPAC name of 5-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-1,3-dimethylbenzimidazol-2-one (CID 68872396) is 5-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-1,3-dimethylbenzimidazol-2-one.

What is the SMILES notation for 5-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-1,3-dimethylbenzimidazol-2-one?

The canonical SMILES for 5-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-1,3-dimethylbenzimidazol-2-one is CCn1c(-c2nonc2N)nc2cnc(Oc3ccc4c(c3)n(C)c(=O)n4C)cc21.

What is the InChIKey of 5-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-1,3-dimethylbenzimidazol-2-one?

The InChIKey is QCIDIVVINGECSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O3/c1-4-27-13-8-15(21-9-11(13)22-18(27)16-17(20)24-30-23-16)29-10-5-6-12-14(7-10)26(3)19(28)25(12)2/h5-9H,4H2,1-3H3,(H2,20,24).

What are the key properties of 5-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-1,3-dimethylbenzimidazol-2-one?

5-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-1,3-dimethylbenzimidazol-2-one has a molecular weight of 406.41 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 68872396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).