N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride

C22H26Cl2N4O2 — CID 119457516

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride (PubChem CID 119457516) has the molecular formula C22H26Cl2N4O2 and a molecular weight of 449.38 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride.

Molecular Properties

• Compound Name: N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride
• PubChem CID: 119457516
• Molecular Formula: C22H26Cl2N4O2
• Molecular Weight: 449.38 g/mol
• Exact Mass: 448.14
• IUPAC Name: N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride
• SMILES: Cl.Cl.O=C(NC1CC2CCC(C1)N2)c1cccc(OCc2cn3ccccc3n2)c1
• InChI: InChI=1S/C22H24N4O2.2ClH/c27-22(25-18-11-16-7-8-17(12-18)23-16)15-4-3-5-20(10-15)28-14-19-13-26-9-2-1-6-21(26)24-19;;/h1-6,9-10,13,16-18,23H,7-8,11-12,14H2,(H,25,27);2*1H
• InChIKey: WNKJWZNLMCDGMK-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 67.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.38
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride?

The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride (CID 119457516) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride.

What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride?

The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride is Cl.Cl.O=C(NC1CC2CCC(C1)N2)c1cccc(OCc2cn3ccccc3n2)c1.

What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride?

The InChIKey is WNKJWZNLMCDGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2.2ClH/c27-22(25-18-11-16-7-8-17(12-18)23-16)15-4-3-5-20(10-15)28-14-19-13-26-9-2-1-6-21(26)24-19;;/h1-6,9-10,13,16-18,23H,7-8,11-12,14H2,(H,25,27);2*1H.

What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride?

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride has a molecular weight of 449.38 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride is sourced from PubChem (CID 119457516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).