2-[3-(4-methyl-1-phenyl-4,5-dihydrobenzimidazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole

C46H34N6 — CID 129115021

IUPAC2-[3-(4-methyl-1-phenyl-4,5-dihydrobenzimidazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
SMILESCC1CC=Cc2c1nc(-c1cc(-c3nc4ccccc4n3-c3ccccc3)cc(-c3nc4ccccc4n3-c3ccccc3)c1)n2-c1ccccc1
InChIInChI=1S/C46H34N6/c1-31-16-15-27-42-43(31)49-46(52(42)37-21-9-4-10-22-37)34-29-32(44-47-38-23-11-13-25-40(38)50(44)35-17-5-2-6-18-35)28-33(30-34)45-48-39-24-12-14-26-41(39)51(45)36-19-7-3-8-20-36/h2-15,17-31H,16H2,1H3
InChIKeyQYINPNJHIBFGND-UHFFFAOYSA-N
MW670.82 g/mol
LogP11.07
Rot. Bonds6

About 2-[3-(4-methyl-1-phenyl-4,5-dihydrobenzimidazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole

2-[3-(4-methyl-1-phenyl-4,5-dihydrobenzimidazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole (PubChem CID 129115021) has the molecular formula C46H34N6 and a molecular weight of 670.82 g/mol. Its IUPAC name is 2-[3-(4-methyl-1-phenyl-4,5-dihydrobenzimidazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[3-(4-methyl-1-phenyl-4,5-dihydrobenzimidazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
PubChem CID129115021
Molecular FormulaC46H34N6
Molecular Weight670.82 g/mol
Exact Mass670.28
IUPAC Name2-[3-(4-methyl-1-phenyl-4,5-dihydrobenzimidazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
SMILESCC1CC=Cc2c1nc(-c1cc(-c3nc4ccccc4n3-c3ccccc3)cc(-c3nc4ccccc4n3-c3ccccc3)c1)n2-c1ccccc1
InChIInChI=1S/C46H34N6/c1-31-16-15-27-42-43(31)49-46(52(42)37-21-9-4-10-22-37)34-29-32(44-47-38-23-11-13-25-40(38)50(44)35-17-5-2-6-18-35)28-33(30-34)45-48-39-24-12-14-26-41(39)51(45)36-19-7-3-8-20-36/h2-15,17-31H,16H2,1H3
InChIKeyQYINPNJHIBFGND-UHFFFAOYSA-N
XLogP11.07
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.82
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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9-[4-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
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10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9H-acridine
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2-[3-(1-buta-1,3-dien-2-yl-4,5-dimethylimidazol-2-yl)-5-(1-phenyl-4,5-dihydrobenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
CID 145421665
1,2-diphenylbenzimidazole;ethane;iridium;propane
CID 142394497
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2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
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2-(4-bromophenyl)-1-phenylbenzimidazole
CID 23094070
3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one
CID 121247662
2-phenyl-3-[4-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6H-cyclohepta[d]imidazole
CID 155186078

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methyl-1-phenyl-4,5-dihydrobenzimidazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[3-(4-methyl-1-phenyl-4,5-dihydrobenzimidazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole (CID 129115021) is 2-[3-(4-methyl-1-phenyl-4,5-dihydrobenzimidazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[3-(4-methyl-1-phenyl-4,5-dihydrobenzimidazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[3-(4-methyl-1-phenyl-4,5-dihydrobenzimidazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole is CC1CC=Cc2c1nc(-c1cc(-c3nc4ccccc4n3-c3ccccc3)cc(-c3nc4ccccc4n3-c3ccccc3)c1)n2-c1ccccc1.
What is the InChIKey of 2-[3-(4-methyl-1-phenyl-4,5-dihydrobenzimidazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole?
The InChIKey is QYINPNJHIBFGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N6/c1-31-16-15-27-42-43(31)49-46(52(42)37-21-9-4-10-22-37)34-29-32(44-47-38-23-11-13-25-40(38)50(44)35-17-5-2-6-18-35)28-33(30-34)45-48-39-24-12-14-26-41(39)51(45)36-19-7-3-8-20-36/h2-15,17-31H,16H2,1H3.
What are the key properties of 2-[3-(4-methyl-1-phenyl-4,5-dihydrobenzimidazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole?
2-[3-(4-methyl-1-phenyl-4,5-dihydrobenzimidazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole has a molecular weight of 670.82 g/mol, XLogP of 11.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methyl-1-phenyl-4,5-dihydrobenzimidazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 129115021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).