1-[3-[2-(benzimidazol-1-yl)phenyl]-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole;1-[2-[3,5-bis(benzimidazol-1-yl)phenyl]phenyl]-2-methylbenzimidazole;1-[2-[3,5-bis(benzimidazol-1-yl)phenyl]phenyl]-2-pyridin-2-ylbenzimidazole;1-[2-[3,5-bis(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-2-phenylbenzimidazole

C168H113N25 — CID 157405801

IUPAC1-[3-[2-(benzimidazol-1-yl)phenyl]-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole;1-[2-[3,5-bis(benzimidazol-1-yl)phenyl]phenyl]-2-methylbenzimidazole;1-[2-[3,5-bis(benzimidazol-1-yl)phenyl]phenyl]-2-pyridin-2-ylbenzimidazole;1-[2-[3,5-bis(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-2-phenylbenzimidazole
SMILESCc1nc2ccccc2n1-c1ccccc1-c1cc(-n2cnc3ccccc32)cc(-n2cnc3ccccc32)c1.c1ccc(-c2nc3ccccc3n2-c2cc(-c3ccccc3-n3c(-c4ccccc4)nc4ccccc43)cc(-n3c(-c4ccccc4)nc4ccccc43)c2)cc1.c1ccc(-c2nc3ccccc3n2-c2cc(-c3ccccc3-n3cnc4ccccc43)cc(-n3c(-c4ccccc4)nc4ccccc43)c2)cc1.c1ccc(-c2nc3ccccc3n2-c2ccccc2-c2cc(-n3cnc4ccccc43)cc(-n3cnc4ccccc43)c2)nc1
InChIInChI=1S/C51H34N6.C45H30N6.C38H25N7.C34H24N6/c1-4-18-35(19-5-1)49-52-42-25-11-15-29-46(42)55(49)39-32-38(33-40(34-39)56-47-30-16-12-26-43(47)53-50(56)36-20-6-2-7-21-36)41-24-10-14-28-45(41)57-48-31-17-13-27-44(48)54-51(57)37-22-8-3-9-23-37;1-3-15-31(16-4-1)44-47-38-21-9-13-25-42(38)50(44)34-27-33(36-19-7-11-23-40(36)49-30-46-37-20-8-12-24-41(37)49)28-35(29-34)51-43-26-14-10-22-39(43)48-45(51)32-17-5-2-6-18-32;1-5-16-34(45-37-19-8-4-14-32(37)42-38(45)33-15-9-10-20-39-33)29(11-1)26-21-27(43-24-40-30-12-2-6-17-35(30)43)23-28(22-26)44-25-41-31-13-3-7-18-36(31)44;1-23-37-30-13-5-9-17-34(30)40(23)31-14-6-2-10-27(31)24-18-25(38-21-35-28-11-3-7-15-32(28)38)20-26(19-24)39-22-36-29-12-4-8-16-33(29)39/h1-34H;1-30H;1-25H;2-22H,1H3
InChIKeyBNRWIPZXURBJLU-UHFFFAOYSA-N
MW2481.93 g/mol
LogP39.19
Rot. Bonds22

About 1-[3-[2-(benzimidazol-1-yl)phenyl]-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole;1-[2-[3,5-bis(benzimidazol-1-yl)phenyl]phenyl]-2-methylbenzimidazole;1-[2-[3,5-bis(benzimidazol-1-yl)phenyl]phenyl]-2-pyridin-2-ylbenzimidazole;1-[2-[3,5-bis(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-2-phenylbenzimidazole

1-[3-[2-(benzimidazol-1-yl)phenyl]-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole;1-[2-[3,5-bis(benzimidazol-1-yl)phenyl]phenyl]-2-methylbenzimidazole;1-[2-[3,5-bis(benzimidazol-1-yl)phenyl]phenyl]-2-pyridin-2-ylbenzimidazole;1-[2-[3,5-bis(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-2-phenylbenzimidazole (PubChem CID 157405801) has the molecular formula C168H113N25 and a molecular weight of 2481.93 g/mol. Its IUPAC name is 1-[3-[2-(benzimidazol-1-yl)phenyl]-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole;1-[2-[3,5-bis(benzimidazol-1-yl)phenyl]phenyl]-2-methylbenzimidazole;1-[2-[3,5-bis(benzimidazol-1-yl)phenyl]phenyl]-2-pyridin-2-ylbenzimidazole;1-[2-[3,5-bis(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[3-[2-(benzimidazol-1-yl)phenyl]-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole;1-[2-[3,5-bis(benzimidazol-1-yl)phenyl]phenyl]-2-methylbenzimidazole;1-[2-[3,5-bis(benzimidazol-1-yl)phenyl]phenyl]-2-pyridin-2-ylbenzimidazole;1-[2-[3,5-bis(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-2-phenylbenzimidazole
PubChem CID157405801
Molecular FormulaC168H113N25
Molecular Weight2481.93 g/mol
Exact Mass2479.96
IUPAC Name1-[3-[2-(benzimidazol-1-yl)phenyl]-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole;1-[2-[3,5-bis(benzimidazol-1-yl)phenyl]phenyl]-2-methylbenzimidazole;1-[2-[3,5-bis(benzimidazol-1-yl)phenyl]phenyl]-2-pyridin-2-ylbenzimidazole;1-[2-[3,5-bis(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-2-phenylbenzimidazole
SMILESCc1nc2ccccc2n1-c1ccccc1-c1cc(-n2cnc3ccccc32)cc(-n2cnc3ccccc32)c1.c1ccc(-c2nc3ccccc3n2-c2cc(-c3ccccc3-n3c(-c4ccccc4)nc4ccccc43)cc(-n3c(-c4ccccc4)nc4ccccc43)c2)cc1.c1ccc(-c2nc3ccccc3n2-c2cc(-c3ccccc3-n3cnc4ccccc43)cc(-n3c(-c4ccccc4)nc4ccccc43)c2)cc1.c1ccc(-c2nc3ccccc3n2-c2ccccc2-c2cc(-n3cnc4ccccc43)cc(-n3cnc4ccccc43)c2)nc1
InChIInChI=1S/C51H34N6.C45H30N6.C38H25N7.C34H24N6/c1-4-18-35(19-5-1)49-52-42-25-11-15-29-46(42)55(49)39-32-38(33-40(34-39)56-47-30-16-12-26-43(47)53-50(56)36-20-6-2-7-21-36)41-24-10-14-28-45(41)57-48-31-17-13-27-44(48)54-51(57)37-22-8-3-9-23-37;1-3-15-31(16-4-1)44-47-38-21-9-13-25-42(38)50(44)34-27-33(36-19-7-11-23-40(36)49-30-46-37-20-8-12-24-41(37)49)28-35(29-34)51-43-26-14-10-22-39(43)48-45(51)32-17-5-2-6-18-32;1-5-16-34(45-37-19-8-4-14-32(37)42-38(45)33-15-9-10-20-39-33)29(11-1)26-21-27(43-24-40-30-12-2-6-17-35(30)43)23-28(22-26)44-25-41-31-13-3-7-18-36(31)44;1-23-37-30-13-5-9-17-34(30)40(23)31-14-6-2-10-27(31)24-18-25(38-21-35-28-11-3-7-15-32(28)38)20-26(19-24)39-22-36-29-12-4-8-16-33(29)39/h1-34H;1-30H;1-25H;2-22H,1H3
InChIKeyBNRWIPZXURBJLU-UHFFFAOYSA-N
XLogP39.19
TPSA226.73 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds22
Heavy Atoms193
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002481.93
LogP ≤ 539.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 1-[3-[2-(benzimidazol-1-yl)phenyl]-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole;1-[2-[3,5-bis(benzimidazol-1-yl)phenyl]phenyl]-2-methylbenzimidazole;1-[2-[3,5-bis(benzimidazol-1-yl)phenyl]phenyl]-2-pyridin-2-ylbenzimidazole;1-[2-[3,5-bis(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-2-phenylbenzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(benzimidazol-1-yl)phenyl]-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole;1-[2-[3,5-bis(benzimidazol-1-yl)phenyl]phenyl]-2-methylbenzimidazole;1-[2-[3,5-bis(benzimidazol-1-yl)phenyl]phenyl]-2-pyridin-2-ylbenzimidazole;1-[2-[3,5-bis(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-2-phenylbenzimidazole?
The IUPAC name of 1-[3-[2-(benzimidazol-1-yl)phenyl]-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole;1-[2-[3,5-bis(benzimidazol-1-yl)phenyl]phenyl]-2-methylbenzimidazole;1-[2-[3,5-bis(benzimidazol-1-yl)phenyl]phenyl]-2-pyridin-2-ylbenzimidazole;1-[2-[3,5-bis(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-2-phenylbenzimidazole (CID 157405801) is 1-[3-[2-(benzimidazol-1-yl)phenyl]-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole;1-[2-[3,5-bis(benzimidazol-1-yl)phenyl]phenyl]-2-methylbenzimidazole;1-[2-[3,5-bis(benzimidazol-1-yl)phenyl]phenyl]-2-pyridin-2-ylbenzimidazole;1-[2-[3,5-bis(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[3-[2-(benzimidazol-1-yl)phenyl]-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole;1-[2-[3,5-bis(benzimidazol-1-yl)phenyl]phenyl]-2-methylbenzimidazole;1-[2-[3,5-bis(benzimidazol-1-yl)phenyl]phenyl]-2-pyridin-2-ylbenzimidazole;1-[2-[3,5-bis(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[3-[2-(benzimidazol-1-yl)phenyl]-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole;1-[2-[3,5-bis(benzimidazol-1-yl)phenyl]phenyl]-2-methylbenzimidazole;1-[2-[3,5-bis(benzimidazol-1-yl)phenyl]phenyl]-2-pyridin-2-ylbenzimidazole;1-[2-[3,5-bis(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-2-phenylbenzimidazole is Cc1nc2ccccc2n1-c1ccccc1-c1cc(-n2cnc3ccccc32)cc(-n2cnc3ccccc32)c1.c1ccc(-c2nc3ccccc3n2-c2cc(-c3ccccc3-n3c(-c4ccccc4)nc4ccccc43)cc(-n3c(-c4ccccc4)nc4ccccc43)c2)cc1.c1ccc(-c2nc3ccccc3n2-c2cc(-c3ccccc3-n3cnc4ccccc43)cc(-n3c(-c4ccccc4)nc4ccccc43)c2)cc1.c1ccc(-c2nc3ccccc3n2-c2ccccc2-c2cc(-n3cnc4ccccc43)cc(-n3cnc4ccccc43)c2)nc1.
What is the InChIKey of 1-[3-[2-(benzimidazol-1-yl)phenyl]-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole;1-[2-[3,5-bis(benzimidazol-1-yl)phenyl]phenyl]-2-methylbenzimidazole;1-[2-[3,5-bis(benzimidazol-1-yl)phenyl]phenyl]-2-pyridin-2-ylbenzimidazole;1-[2-[3,5-bis(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-2-phenylbenzimidazole?
The InChIKey is BNRWIPZXURBJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N6.C45H30N6.C38H25N7.C34H24N6/c1-4-18-35(19-5-1)49-52-42-25-11-15-29-46(42)55(49)39-32-38(33-40(34-39)56-47-30-16-12-26-43(47)53-50(56)36-20-6-2-7-21-36)41-24-10-14-28-45(41)57-48-31-17-13-27-44(48)54-51(57)37-22-8-3-9-23-37;1-3-15-31(16-4-1)44-47-38-21-9-13-25-42(38)50(44)34-27-33(36-19-7-11-23-40(36)49-30-46-37-20-8-12-24-41(37)49)28-35(29-34)51-43-26-14-10-22-39(43)48-45(51)32-17-5-2-6-18-32;1-5-16-34(45-37-19-8-4-14-32(37)42-38(45)33-15-9-10-20-39-33)29(11-1)26-21-27(43-24-40-30-12-2-6-17-35(30)43)23-28(22-26)44-25-41-31-13-3-7-18-36(31)44;1-23-37-30-13-5-9-17-34(30)40(23)31-14-6-2-10-27(31)24-18-25(38-21-35-28-11-3-7-15-32(28)38)20-26(19-24)39-22-36-29-12-4-8-16-33(29)39/h1-34H;1-30H;1-25H;2-22H,1H3.
What are the key properties of 1-[3-[2-(benzimidazol-1-yl)phenyl]-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole;1-[2-[3,5-bis(benzimidazol-1-yl)phenyl]phenyl]-2-methylbenzimidazole;1-[2-[3,5-bis(benzimidazol-1-yl)phenyl]phenyl]-2-pyridin-2-ylbenzimidazole;1-[2-[3,5-bis(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-2-phenylbenzimidazole?
1-[3-[2-(benzimidazol-1-yl)phenyl]-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole;1-[2-[3,5-bis(benzimidazol-1-yl)phenyl]phenyl]-2-methylbenzimidazole;1-[2-[3,5-bis(benzimidazol-1-yl)phenyl]phenyl]-2-pyridin-2-ylbenzimidazole;1-[2-[3,5-bis(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-2-phenylbenzimidazole has a molecular weight of 2481.93 g/mol, XLogP of 39.19, 22 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(benzimidazol-1-yl)phenyl]-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole;1-[2-[3,5-bis(benzimidazol-1-yl)phenyl]phenyl]-2-methylbenzimidazole;1-[2-[3,5-bis(benzimidazol-1-yl)phenyl]phenyl]-2-pyridin-2-ylbenzimidazole;1-[2-[3,5-bis(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-2-phenylbenzimidazole is sourced from PubChem (CID 157405801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).