2-ethyl-5,7-dimethyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]-3H-benzimidazol-5-yl]methyl]imidazo[4,5-b]pyridine

C25H23N9 — CID 139633227

About 2-ethyl-5,7-dimethyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]-3H-benzimidazol-5-yl]methyl]imidazo[4,5-b]pyridine

2-ethyl-5,7-dimethyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]-3H-benzimidazol-5-yl]methyl]imidazo[4,5-b]pyridine (PubChem CID 139633227) has the molecular formula C25H23N9 and a molecular weight of 449.52 g/mol. Its IUPAC name is 2-ethyl-5,7-dimethyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]-3H-benzimidazol-5-yl]methyl]imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 2-ethyl-5,7-dimethyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]-3H-benzimidazol-5-yl]methyl]imidazo[4,5-b]pyridine
• PubChem CID: 139633227
• Molecular Formula: C25H23N9
• Molecular Weight: 449.52 g/mol
• Exact Mass: 449.21
• IUPAC Name: 2-ethyl-5,7-dimethyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]-3H-benzimidazol-5-yl]methyl]imidazo[4,5-b]pyridine
• SMILES: CCc1nc2c(C)cc(C)nc2n1Cc1ccc2nc(-c3ccccc3-c3nn[nH]n3)[nH]c2c1
• InChI: InChI=1S/C25H23N9/c1-4-21-29-22-14(2)11-15(3)26-25(22)34(21)13-16-9-10-19-20(12-16)28-23(27-19)17-7-5-6-8-18(17)24-30-32-33-31-24/h5-12H,4,13H2,1-3H3,(H,27,28)(H,30,31,32,33)
• InChIKey: GLQWGZUVLDUYPJ-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 113.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.52
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,7-dimethyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]-3H-benzimidazol-5-yl]methyl]imidazo[4,5-b]pyridine?

The IUPAC name of 2-ethyl-5,7-dimethyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]-3H-benzimidazol-5-yl]methyl]imidazo[4,5-b]pyridine (CID 139633227) is 2-ethyl-5,7-dimethyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]-3H-benzimidazol-5-yl]methyl]imidazo[4,5-b]pyridine.

What is the SMILES notation for 2-ethyl-5,7-dimethyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]-3H-benzimidazol-5-yl]methyl]imidazo[4,5-b]pyridine?

The canonical SMILES for 2-ethyl-5,7-dimethyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]-3H-benzimidazol-5-yl]methyl]imidazo[4,5-b]pyridine is CCc1nc2c(C)cc(C)nc2n1Cc1ccc2nc(-c3ccccc3-c3nn[nH]n3)[nH]c2c1.

What is the InChIKey of 2-ethyl-5,7-dimethyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]-3H-benzimidazol-5-yl]methyl]imidazo[4,5-b]pyridine?

The InChIKey is GLQWGZUVLDUYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N9/c1-4-21-29-22-14(2)11-15(3)26-25(22)34(21)13-16-9-10-19-20(12-16)28-23(27-19)17-7-5-6-8-18(17)24-30-32-33-31-24/h5-12H,4,13H2,1-3H3,(H,27,28)(H,30,31,32,33).

What are the key properties of 2-ethyl-5,7-dimethyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]-3H-benzimidazol-5-yl]methyl]imidazo[4,5-b]pyridine?

2-ethyl-5,7-dimethyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]-3H-benzimidazol-5-yl]methyl]imidazo[4,5-b]pyridine has a molecular weight of 449.52 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-5,7-dimethyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]-3H-benzimidazol-5-yl]methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 139633227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).