2-[3-(1H-benzimidazol-2-yl)-5-[3,5-bis(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole;2-[3-(1,3-benzothiazol-2-yl)-5-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3,5-bis(1,3-benzoxazol-2-yl)phenyl]phenyl]-1,3-benzoxazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole

C151H105N19O5S5 — CID 158507595

About 2-[3-(1H-benzimidazol-2-yl)-5-[3,5-bis(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole;2-[3-(1,3-benzothiazol-2-yl)-5-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3,5-bis(1,3-benzoxazol-2-yl)phenyl]phenyl]-1,3-benzoxazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole

2-[3-(1H-benzimidazol-2-yl)-5-[3,5-bis(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole;2-[3-(1,3-benzothiazol-2-yl)-5-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3,5-bis(1,3-benzoxazol-2-yl)phenyl]phenyl]-1,3-benzoxazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole (PubChem CID 158507595) has the molecular formula C151H105N19O5S5 and a molecular weight of 2425.96 g/mol. Its IUPAC name is 2-[3-(1H-benzimidazol-2-yl)-5-[3,5-bis(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole;2-[3-(1,3-benzothiazol-2-yl)-5-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3,5-bis(1,3-benzoxazol-2-yl)phenyl]phenyl]-1,3-benzoxazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole.

Molecular Properties

• Compound Name: 2-[3-(1H-benzimidazol-2-yl)-5-[3,5-bis(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole;2-[3-(1,3-benzothiazol-2-yl)-5-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3,5-bis(1,3-benzoxazol-2-yl)phenyl]phenyl]-1,3-benzoxazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole
• PubChem CID: 158507595
• Molecular Formula: C151H105N19O5S5
• Molecular Weight: 2425.96 g/mol
• Exact Mass: 2423.71
• IUPAC Name: 2-[3-(1H-benzimidazol-2-yl)-5-[3,5-bis(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole;2-[3-(1,3-benzothiazol-2-yl)-5-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3,5-bis(1,3-benzoxazol-2-yl)phenyl]phenyl]-1,3-benzoxazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole
• SMILES: CC(C)C1=Nc2ccccc2C1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.c1ccc2[nH]c(-c3cc(-c4cc(-c5nc6ccccc6[nH]5)cc(-c5nc6ccccc6[nH]5)c4)cc(-c4nc5ccccc5[nH]4)c3)nc2c1.c1ccc2oc(-c3cc(-c4cc(-c5nc6ccccc6o5)cc(-c5nc6ccccc6o5)c4)cc(-c4nc5ccccc5o4)c3)nc2c1.c1ccc2sc(-c3cc(-c4cc(-c5nc6ccccc6s5)cc(-c5nc6ccccc6s5)c4)cc(-c4nc5ccccc5s4)c3)nc2c1
• InChI: InChI=1S/C40H26N8.C40H22N4O4.C40H22N4S4.C11H13N.C10H11NO.C10H11NS/c1-2-10-30-29(9-1)41-37(42-30)25-17-23(18-26(21-25)38-43-31-11-3-4-12-32(31)44-38)24-19-27(39-45-33-13-5-6-14-34(33)46-39)22-28(20-24)40-47-35-15-7-8-16-36(35)48-40;2*1-5-13-33-29(9-1)41-37(45-33)25-17-23(18-26(21-25)38-42-30-10-2-6-14-34(30)46-38)24-19-27(39-43-31-11-3-7-15-35(31)47-39)22-28(20-24)40-44-32-12-4-8-16-36(32)48-40;1-8(2)11-7-9-5-3-4-6-10(9)12-11;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10/h1-22H,(H,41,42)(H,43,44)(H,45,46)(H,47,48);2*1-22H;3-6,8H,7H2,1-2H3;2*3-7H,1-2H3
• InChIKey: HKQLHWGRGMGKBJ-UHFFFAOYSA-N
• XLogP: 41.92
• TPSA: 321.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2425.96
LogP ≤ 5	41.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-benzimidazol-2-yl)-5-[3,5-bis(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole;2-[3-(1,3-benzothiazol-2-yl)-5-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3,5-bis(1,3-benzoxazol-2-yl)phenyl]phenyl]-1,3-benzoxazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole?

The IUPAC name of 2-[3-(1H-benzimidazol-2-yl)-5-[3,5-bis(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole;2-[3-(1,3-benzothiazol-2-yl)-5-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3,5-bis(1,3-benzoxazol-2-yl)phenyl]phenyl]-1,3-benzoxazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole (CID 158507595) is 2-[3-(1H-benzimidazol-2-yl)-5-[3,5-bis(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole;2-[3-(1,3-benzothiazol-2-yl)-5-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3,5-bis(1,3-benzoxazol-2-yl)phenyl]phenyl]-1,3-benzoxazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole.

What is the SMILES notation for 2-[3-(1H-benzimidazol-2-yl)-5-[3,5-bis(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole;2-[3-(1,3-benzothiazol-2-yl)-5-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3,5-bis(1,3-benzoxazol-2-yl)phenyl]phenyl]-1,3-benzoxazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole?

The canonical SMILES for 2-[3-(1H-benzimidazol-2-yl)-5-[3,5-bis(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole;2-[3-(1,3-benzothiazol-2-yl)-5-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3,5-bis(1,3-benzoxazol-2-yl)phenyl]phenyl]-1,3-benzoxazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole is CC(C)C1=Nc2ccccc2C1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.c1ccc2[nH]c(-c3cc(-c4cc(-c5nc6ccccc6[nH]5)cc(-c5nc6ccccc6[nH]5)c4)cc(-c4nc5ccccc5[nH]4)c3)nc2c1.c1ccc2oc(-c3cc(-c4cc(-c5nc6ccccc6o5)cc(-c5nc6ccccc6o5)c4)cc(-c4nc5ccccc5o4)c3)nc2c1.c1ccc2sc(-c3cc(-c4cc(-c5nc6ccccc6s5)cc(-c5nc6ccccc6s5)c4)cc(-c4nc5ccccc5s4)c3)nc2c1.

What is the InChIKey of 2-[3-(1H-benzimidazol-2-yl)-5-[3,5-bis(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole;2-[3-(1,3-benzothiazol-2-yl)-5-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3,5-bis(1,3-benzoxazol-2-yl)phenyl]phenyl]-1,3-benzoxazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole?

The InChIKey is HKQLHWGRGMGKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N8.C40H22N4O4.C40H22N4S4.C11H13N.C10H11NO.C10H11NS/c1-2-10-30-29(9-1)41-37(42-30)25-17-23(18-26(21-25)38-43-31-11-3-4-12-32(31)44-38)24-19-27(39-45-33-13-5-6-14-34(33)46-39)22-28(20-24)40-47-35-15-7-8-16-36(35)48-40;2*1-5-13-33-29(9-1)41-37(45-33)25-17-23(18-26(21-25)38-42-30-10-2-6-14-34(30)46-38)24-19-27(39-43-31-11-3-7-15-35(31)47-39)22-28(20-24)40-44-32-12-4-8-16-36(32)48-40;1-8(2)11-7-9-5-3-4-6-10(9)12-11;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10/h1-22H,(H,41,42)(H,43,44)(H,45,46)(H,47,48);2*1-22H;3-6,8H,7H2,1-2H3;2*3-7H,1-2H3.

What are the key properties of 2-[3-(1H-benzimidazol-2-yl)-5-[3,5-bis(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole;2-[3-(1,3-benzothiazol-2-yl)-5-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3,5-bis(1,3-benzoxazol-2-yl)phenyl]phenyl]-1,3-benzoxazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole?

2-[3-(1H-benzimidazol-2-yl)-5-[3,5-bis(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole;2-[3-(1,3-benzothiazol-2-yl)-5-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3,5-bis(1,3-benzoxazol-2-yl)phenyl]phenyl]-1,3-benzoxazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole has a molecular weight of 2425.96 g/mol, XLogP of 41.92, 18 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(1H-benzimidazol-2-yl)-5-[3,5-bis(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole;2-[3-(1,3-benzothiazol-2-yl)-5-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[3-(1,3-benzoxazol-2-yl)-5-[3,5-bis(1,3-benzoxazol-2-yl)phenyl]phenyl]-1,3-benzoxazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole is sourced from PubChem (CID 158507595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).