2-butyl-3-[1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]imidazo[4,5-b]pyridine

C25H25N7 — CID 67943889

About 2-butyl-3-[1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]imidazo[4,5-b]pyridine

2-butyl-3-[1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]imidazo[4,5-b]pyridine (PubChem CID 67943889) has the molecular formula C25H25N7 and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-butyl-3-[1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 2-butyl-3-[1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]imidazo[4,5-b]pyridine
• PubChem CID: 67943889
• Molecular Formula: C25H25N7
• Molecular Weight: 423.52 g/mol
• Exact Mass: 423.22
• IUPAC Name: 2-butyl-3-[1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]imidazo[4,5-b]pyridine
• SMILES: CCCCc1nc2cccnc2n1C(C)c1ccc(-c2ccccc2-c2nn[nH]n2)cc1
• InChI: InChI=1S/C25H25N7/c1-3-4-11-23-27-22-10-7-16-26-25(22)32(23)17(2)18-12-14-19(15-13-18)20-8-5-6-9-21(20)24-28-30-31-29-24/h5-10,12-17H,3-4,11H2,1-2H3,(H,28,29,30,31)
• InChIKey: AJWABOKIPDFNMN-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 85.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.52
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-[1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]imidazo[4,5-b]pyridine?

The IUPAC name of 2-butyl-3-[1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]imidazo[4,5-b]pyridine (CID 67943889) is 2-butyl-3-[1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]imidazo[4,5-b]pyridine.

What is the SMILES notation for 2-butyl-3-[1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]imidazo[4,5-b]pyridine?

The canonical SMILES for 2-butyl-3-[1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]imidazo[4,5-b]pyridine is CCCCc1nc2cccnc2n1C(C)c1ccc(-c2ccccc2-c2nn[nH]n2)cc1.

What is the InChIKey of 2-butyl-3-[1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]imidazo[4,5-b]pyridine?

The InChIKey is AJWABOKIPDFNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7/c1-3-4-11-23-27-22-10-7-16-26-25(22)32(23)17(2)18-12-14-19(15-13-18)20-8-5-6-9-21(20)24-28-30-31-29-24/h5-10,12-17H,3-4,11H2,1-2H3,(H,28,29,30,31).

What are the key properties of 2-butyl-3-[1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]imidazo[4,5-b]pyridine?

2-butyl-3-[1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]imidazo[4,5-b]pyridine has a molecular weight of 423.52 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butyl-3-[1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 67943889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).