2-phenyl-6-[2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole

C35H28N8S — CID 19964913

About 2-phenyl-6-[2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole

2-phenyl-6-[2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole (PubChem CID 19964913) has the molecular formula C35H28N8S and a molecular weight of 592.73 g/mol. Its IUPAC name is 2-phenyl-6-[2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

• Compound Name: 2-phenyl-6-[2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole
• PubChem CID: 19964913
• Molecular Formula: C35H28N8S
• Molecular Weight: 592.73 g/mol
• Exact Mass: 592.22
• IUPAC Name: 2-phenyl-6-[2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole
• SMILES: CCCc1nc2ccc(-c3cn4cc(-c5ccccc5)sc4n3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
• InChI: InChI=1S/C35H28N8S/c1-2-8-33-36-29-18-17-26(30-21-42-22-32(44-35(42)37-30)25-9-4-3-5-10-25)19-31(29)43(33)20-23-13-15-24(16-14-23)27-11-6-7-12-28(27)34-38-40-41-39-34/h3-7,9-19,21-22H,2,8,20H2,1H3,(H,38,39,40,41)
• InChIKey: GJJSEPZNNNECAP-UHFFFAOYSA-N
• XLogP: 7.93
• TPSA: 89.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.73
LogP ≤ 5	7.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole?

The IUPAC name of 2-phenyl-6-[2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole (CID 19964913) is 2-phenyl-6-[2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole.

What is the SMILES notation for 2-phenyl-6-[2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole?

The canonical SMILES for 2-phenyl-6-[2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole is CCCc1nc2ccc(-c3cn4cc(-c5ccccc5)sc4n3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.

What is the InChIKey of 2-phenyl-6-[2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole?

The InChIKey is GJJSEPZNNNECAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N8S/c1-2-8-33-36-29-18-17-26(30-21-42-22-32(44-35(42)37-30)25-9-4-3-5-10-25)19-31(29)43(33)20-23-13-15-24(16-14-23)27-11-6-7-12-28(27)34-38-40-41-39-34/h3-7,9-19,21-22H,2,8,20H2,1H3,(H,38,39,40,41).

What are the key properties of 2-phenyl-6-[2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole?

2-phenyl-6-[2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 592.73 g/mol, XLogP of 7.93, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-6-[2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 19964913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).