8-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-2,3-dimethyl-6-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine

C31H37N5O — CID 155633326

About 8-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-2,3-dimethyl-6-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine

8-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-2,3-dimethyl-6-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine (PubChem CID 155633326) has the molecular formula C31H37N5O and a molecular weight of 495.67 g/mol. Its IUPAC name is 8-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-2,3-dimethyl-6-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 8-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-2,3-dimethyl-6-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine
• PubChem CID: 155633326
• Molecular Formula: C31H37N5O
• Molecular Weight: 495.67 g/mol
• Exact Mass: 495.30
• IUPAC Name: 8-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-2,3-dimethyl-6-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine
• SMILES: Cc1nc2c(C(C)(C)c3cc(C(C)(C)C)ccn3)cc(Oc3cccc(N4C=CN(C)C4)c3)cn2c1C
• InChI: InChI=1S/C31H37N5O/c1-21-22(2)36-19-26(37-25-11-9-10-24(17-25)35-15-14-34(8)20-35)18-27(29(36)33-21)31(6,7)28-16-23(12-13-32-28)30(3,4)5/h9-19H,20H2,1-8H3
• InChIKey: OVPRBEGHDYQLAN-UHFFFAOYSA-N
• XLogP: 6.94
• TPSA: 45.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.67
LogP ≤ 5	6.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-2,3-dimethyl-6-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine?

The IUPAC name of 8-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-2,3-dimethyl-6-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine (CID 155633326) is 8-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-2,3-dimethyl-6-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine.

What is the SMILES notation for 8-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-2,3-dimethyl-6-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine?

The canonical SMILES for 8-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-2,3-dimethyl-6-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine is Cc1nc2c(C(C)(C)c3cc(C(C)(C)C)ccn3)cc(Oc3cccc(N4C=CN(C)C4)c3)cn2c1C.

What is the InChIKey of 8-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-2,3-dimethyl-6-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine?

The InChIKey is OVPRBEGHDYQLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N5O/c1-21-22(2)36-19-26(37-25-11-9-10-24(17-25)35-15-14-34(8)20-35)18-27(29(36)33-21)31(6,7)28-16-23(12-13-32-28)30(3,4)5/h9-19H,20H2,1-8H3.

What are the key properties of 8-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-2,3-dimethyl-6-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine?

8-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-2,3-dimethyl-6-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine has a molecular weight of 495.67 g/mol, XLogP of 6.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-2,3-dimethyl-6-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine is sourced from PubChem (CID 155633326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).