2-[3,5-bis[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]-1-(2-methylphenyl)benzimidazole

C48H36N6 — CID 23399455

IUPAC2-[3,5-bis[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]-1-(2-methylphenyl)benzimidazole
SMILESCc1ccccc1-n1c(-c2cc(-c3nc4ccccc4n3-c3ccccc3C)cc(-c3nc4ccccc4n3-c3ccccc3C)c2)nc2ccccc21
InChIInChI=1S/C48H36N6/c1-31-16-4-10-22-40(31)52-43-25-13-7-19-37(43)49-46(52)34-28-35(47-50-38-20-8-14-26-44(38)53(47)41-23-11-5-17-32(41)2)30-36(29-34)48-51-39-21-9-15-27-45(39)54(48)42-24-12-6-18-33(42)3/h4-30H,1-3H3
InChIKeyHIHXROWGESGWSV-UHFFFAOYSA-N
MW696.86 g/mol
LogP11.63
Rot. Bonds6

About 2-[3,5-bis[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]-1-(2-methylphenyl)benzimidazole

2-[3,5-bis[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]-1-(2-methylphenyl)benzimidazole (PubChem CID 23399455) has the molecular formula C48H36N6 and a molecular weight of 696.86 g/mol. Its IUPAC name is 2-[3,5-bis[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]-1-(2-methylphenyl)benzimidazole.

Molecular Properties

Compound Name2-[3,5-bis[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]-1-(2-methylphenyl)benzimidazole
PubChem CID23399455
Molecular FormulaC48H36N6
Molecular Weight696.86 g/mol
Exact Mass696.30
IUPAC Name2-[3,5-bis[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]-1-(2-methylphenyl)benzimidazole
SMILESCc1ccccc1-n1c(-c2cc(-c3nc4ccccc4n3-c3ccccc3C)cc(-c3nc4ccccc4n3-c3ccccc3C)c2)nc2ccccc21
InChIInChI=1S/C48H36N6/c1-31-16-4-10-22-40(31)52-43-25-13-7-19-37(43)49-46(52)34-28-35(47-50-38-20-8-14-26-44(38)53(47)41-23-11-5-17-32(41)2)30-36(29-34)48-51-39-21-9-15-27-45(39)54(48)42-24-12-6-18-33(42)3/h4-30H,1-3H3
InChIKeyHIHXROWGESGWSV-UHFFFAOYSA-N
XLogP11.63
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.86
LogP ≤ 511.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methylphenyl)-2-phenylbenzimidazole
CID 59359524
4-[1-(2-methylphenyl)benzimidazol-2-yl]-N,N-diphenylaniline
CID 21356945
1-(2-methylphenyl)-2-[10-(4-methylphenyl)anthracen-9-yl]benzimidazole
CID 89265079
5-(2-methylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 122468410
2-[3,5-bis[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]-1-(2-methylphenyl)benzimidazole;2-[3,5-bis[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyrazine;2-[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;1-phenyl-2-[2,4,6-trimethyl-3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 161035576
3-methyl-4-[2-(2-methylphenyl)benzimidazol-1-yl]phenol
CID 57424050
3-(2-methylphenyl)-2-[3-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine
CID 143423680
6-[1-(2-methylphenyl)benzimidazol-2-yl]cyclohepta-1,3,5-trien-1-ol
CID 143113223
9-[4,6-bis(4-pyridin-2-ylphenyl)pyrimidin-2-yl]-2-[1-(2-methylphenyl)benzimidazol-2-yl]carbazole
CID 144705601
10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9H-acridine
CID 134165975
2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)benzo[c]phenanthren-8-yl]benzimidazole
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1-[4-bromo-2-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole
CID 141480526

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]-1-(2-methylphenyl)benzimidazole?
The IUPAC name of 2-[3,5-bis[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]-1-(2-methylphenyl)benzimidazole (CID 23399455) is 2-[3,5-bis[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]-1-(2-methylphenyl)benzimidazole.
What is the SMILES notation for 2-[3,5-bis[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]-1-(2-methylphenyl)benzimidazole?
The canonical SMILES for 2-[3,5-bis[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]-1-(2-methylphenyl)benzimidazole is Cc1ccccc1-n1c(-c2cc(-c3nc4ccccc4n3-c3ccccc3C)cc(-c3nc4ccccc4n3-c3ccccc3C)c2)nc2ccccc21.
What is the InChIKey of 2-[3,5-bis[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]-1-(2-methylphenyl)benzimidazole?
The InChIKey is HIHXROWGESGWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N6/c1-31-16-4-10-22-40(31)52-43-25-13-7-19-37(43)49-46(52)34-28-35(47-50-38-20-8-14-26-44(38)53(47)41-23-11-5-17-32(41)2)30-36(29-34)48-51-39-21-9-15-27-45(39)54(48)42-24-12-6-18-33(42)3/h4-30H,1-3H3.
What are the key properties of 2-[3,5-bis[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]-1-(2-methylphenyl)benzimidazole?
2-[3,5-bis[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]-1-(2-methylphenyl)benzimidazole has a molecular weight of 696.86 g/mol, XLogP of 11.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]-1-(2-methylphenyl)benzimidazole is sourced from PubChem (CID 23399455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).