1-phenyl-2-[2-[3-[3-[2-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]pyrazin-2-yl]phenyl]benzimidazole

C46H30N8 — CID 58947640

IUPAC1-phenyl-2-[2-[3-[3-[2-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]pyrazin-2-yl]phenyl]benzimidazole
SMILESc1ccc(-n2c(-c3ccccc3-c3nccnc3-c3nccnc3-c3ccccc3-c3nc4ccccc4n3-c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C46H30N8/c1-3-15-31(16-4-1)53-39-25-13-11-23-37(39)51-45(53)35-21-9-7-19-33(35)41-43(49-29-27-47-41)44-42(48-28-30-50-44)34-20-8-10-22-36(34)46-52-38-24-12-14-26-40(38)54(46)32-17-5-2-6-18-32/h1-30H
InChIKeyMRXKHDJMINTWSB-UHFFFAOYSA-N
MW694.80 g/mol
LogP10.28
Rot. Bonds7

About 1-phenyl-2-[2-[3-[3-[2-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]pyrazin-2-yl]phenyl]benzimidazole

1-phenyl-2-[2-[3-[3-[2-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]pyrazin-2-yl]phenyl]benzimidazole (PubChem CID 58947640) has the molecular formula C46H30N8 and a molecular weight of 694.80 g/mol. Its IUPAC name is 1-phenyl-2-[2-[3-[3-[2-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]pyrazin-2-yl]phenyl]benzimidazole.

Molecular Properties

Compound Name1-phenyl-2-[2-[3-[3-[2-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]pyrazin-2-yl]phenyl]benzimidazole
PubChem CID58947640
Molecular FormulaC46H30N8
Molecular Weight694.80 g/mol
Exact Mass694.26
IUPAC Name1-phenyl-2-[2-[3-[3-[2-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]pyrazin-2-yl]phenyl]benzimidazole
SMILESc1ccc(-n2c(-c3ccccc3-c3nccnc3-c3nccnc3-c3ccccc3-c3nc4ccccc4n3-c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C46H30N8/c1-3-15-31(16-4-1)53-39-25-13-11-23-37(39)51-45(53)35-21-9-7-19-33(35)41-43(49-29-27-47-41)44-42(48-28-30-50-44)34-20-8-10-22-36(34)46-52-38-24-12-14-26-40(38)54(46)32-17-5-2-6-18-32/h1-30H
InChIKeyMRXKHDJMINTWSB-UHFFFAOYSA-N
XLogP10.28
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.80
LogP ≤ 510.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-phenyl-2-(2-phenylphenyl)benzimidazole
CID 139044287
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CID 138705119
8-(1-phenylbenzimidazol-2-yl)quinoline
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lithium 2-(1-phenylbenzimidazol-2-yl)phenolate
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1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole
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2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
CID 141061579
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
[2-(1-phenylbenzimidazol-2-yl)phenyl] hypoiodite
CID 129164240
5,8-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]quinoxaline
CID 138705106
1-phenyl-2-[2-(2-phenylethynyl)phenyl]benzimidazole
CID 122363283
copper(1+);1-phenyl-2-[2-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole;2-pyridin-2-ylbenzimidazol-1-ide
CID 59523916

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[2-[3-[3-[2-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]pyrazin-2-yl]phenyl]benzimidazole?
The IUPAC name of 1-phenyl-2-[2-[3-[3-[2-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]pyrazin-2-yl]phenyl]benzimidazole (CID 58947640) is 1-phenyl-2-[2-[3-[3-[2-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]pyrazin-2-yl]phenyl]benzimidazole.
What is the SMILES notation for 1-phenyl-2-[2-[3-[3-[2-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]pyrazin-2-yl]phenyl]benzimidazole?
The canonical SMILES for 1-phenyl-2-[2-[3-[3-[2-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]pyrazin-2-yl]phenyl]benzimidazole is c1ccc(-n2c(-c3ccccc3-c3nccnc3-c3nccnc3-c3ccccc3-c3nc4ccccc4n3-c3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 1-phenyl-2-[2-[3-[3-[2-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]pyrazin-2-yl]phenyl]benzimidazole?
The InChIKey is MRXKHDJMINTWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N8/c1-3-15-31(16-4-1)53-39-25-13-11-23-37(39)51-45(53)35-21-9-7-19-33(35)41-43(49-29-27-47-41)44-42(48-28-30-50-44)34-20-8-10-22-36(34)46-52-38-24-12-14-26-40(38)54(46)32-17-5-2-6-18-32/h1-30H.
What are the key properties of 1-phenyl-2-[2-[3-[3-[2-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]pyrazin-2-yl]phenyl]benzimidazole?
1-phenyl-2-[2-[3-[3-[2-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]pyrazin-2-yl]phenyl]benzimidazole has a molecular weight of 694.80 g/mol, XLogP of 10.28, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[2-[3-[3-[2-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]pyrazin-2-yl]phenyl]benzimidazole is sourced from PubChem (CID 58947640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).