1-[8-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-2-yl]-3-[2-(2-ethyltetrazol-5-yl)ethyl]urea

C20H20N8O3 — CID 66986232

About 1-[8-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-2-yl]-3-[2-(2-ethyltetrazol-5-yl)ethyl]urea

1-[8-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-2-yl]-3-[2-(2-ethyltetrazol-5-yl)ethyl]urea (PubChem CID 66986232) has the molecular formula C20H20N8O3 and a molecular weight of 420.43 g/mol. Its IUPAC name is 1-[8-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-2-yl]-3-[2-(2-ethyltetrazol-5-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-[8-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-2-yl]-3-[2-(2-ethyltetrazol-5-yl)ethyl]urea
• PubChem CID: 66986232
• Molecular Formula: C20H20N8O3
• Molecular Weight: 420.43 g/mol
• Exact Mass: 420.17
• IUPAC Name: 1-[8-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-2-yl]-3-[2-(2-ethyltetrazol-5-yl)ethyl]urea
• SMILES: CCn1nnc(CCNC(=O)Nc2cn3cccc(-c4ccc5c(c4)OCO5)c3n2)n1
• InChI: InChI=1S/C20H20N8O3/c1-2-28-25-17(24-26-28)7-8-21-20(29)23-18-11-27-9-3-4-14(19(27)22-18)13-5-6-15-16(10-13)31-12-30-15/h3-6,9-11H,2,7-8,12H2,1H3,(H2,21,23,29)
• InChIKey: RXFGWQNEBJOAFA-UHFFFAOYSA-N
• XLogP: 2.10
• TPSA: 120.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.43
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[8-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-2-yl]-3-[2-(2-ethyltetrazol-5-yl)ethyl]urea?

The IUPAC name of 1-[8-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-2-yl]-3-[2-(2-ethyltetrazol-5-yl)ethyl]urea (CID 66986232) is 1-[8-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-2-yl]-3-[2-(2-ethyltetrazol-5-yl)ethyl]urea.

What is the SMILES notation for 1-[8-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-2-yl]-3-[2-(2-ethyltetrazol-5-yl)ethyl]urea?

The canonical SMILES for 1-[8-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-2-yl]-3-[2-(2-ethyltetrazol-5-yl)ethyl]urea is CCn1nnc(CCNC(=O)Nc2cn3cccc(-c4ccc5c(c4)OCO5)c3n2)n1.

What is the InChIKey of 1-[8-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-2-yl]-3-[2-(2-ethyltetrazol-5-yl)ethyl]urea?

The InChIKey is RXFGWQNEBJOAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O3/c1-2-28-25-17(24-26-28)7-8-21-20(29)23-18-11-27-9-3-4-14(19(27)22-18)13-5-6-15-16(10-13)31-12-30-15/h3-6,9-11H,2,7-8,12H2,1H3,(H2,21,23,29).

What are the key properties of 1-[8-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-2-yl]-3-[2-(2-ethyltetrazol-5-yl)ethyl]urea?

1-[8-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-2-yl]-3-[2-(2-ethyltetrazol-5-yl)ethyl]urea has a molecular weight of 420.43 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[8-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-2-yl]-3-[2-(2-ethyltetrazol-5-yl)ethyl]urea is sourced from PubChem (CID 66986232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).