4-[3-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methylamino]methyl]phenoxy]butanenitrile

C20H26N4O — CID 71929154

About 4-[3-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methylamino]methyl]phenoxy]butanenitrile

4-[3-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methylamino]methyl]phenoxy]butanenitrile (PubChem CID 71929154) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 4-[3-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methylamino]methyl]phenoxy]butanenitrile.

Molecular Properties

• Compound Name: 4-[3-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methylamino]methyl]phenoxy]butanenitrile
• PubChem CID: 71929154
• Molecular Formula: C20H26N4O
• Molecular Weight: 338.46 g/mol
• Exact Mass: 338.21
• IUPAC Name: 4-[3-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methylamino]methyl]phenoxy]butanenitrile
• SMILES: Cc1cn2c(n1)C(CNCc1cccc(OCCCC#N)c1)CCC2
• InChI: InChI=1S/C20H26N4O/c1-16-15-24-10-5-7-18(20(24)23-16)14-22-13-17-6-4-8-19(12-17)25-11-3-2-9-21/h4,6,8,12,15,18,22H,2-3,5,7,10-11,13-14H2,1H3
• InChIKey: PZXYUIIBWGZWSR-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 62.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.46
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methylamino]methyl]phenoxy]butanenitrile?

The IUPAC name of 4-[3-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methylamino]methyl]phenoxy]butanenitrile (CID 71929154) is 4-[3-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methylamino]methyl]phenoxy]butanenitrile.

What is the SMILES notation for 4-[3-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methylamino]methyl]phenoxy]butanenitrile?

The canonical SMILES for 4-[3-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methylamino]methyl]phenoxy]butanenitrile is Cc1cn2c(n1)C(CNCc1cccc(OCCCC#N)c1)CCC2.

What is the InChIKey of 4-[3-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methylamino]methyl]phenoxy]butanenitrile?

The InChIKey is PZXYUIIBWGZWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-16-15-24-10-5-7-18(20(24)23-16)14-22-13-17-6-4-8-19(12-17)25-11-3-2-9-21/h4,6,8,12,15,18,22H,2-3,5,7,10-11,13-14H2,1H3.

What are the key properties of 4-[3-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methylamino]methyl]phenoxy]butanenitrile?

4-[3-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methylamino]methyl]phenoxy]butanenitrile has a molecular weight of 338.46 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methylamino]methyl]phenoxy]butanenitrile is sourced from PubChem (CID 71929154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).