5-butyl-2-[5-[4-[5-(5-butyl-1-phenylbenzimidazol-2-yl)-3-phenylpyrazin-2-yl]-2,5-dipropylphenyl]-6-phenylpyrazin-2-yl]-1-phenylbenzimidazole

C66H62N8 — CID 58250533

IUPAC5-butyl-2-[5-[4-[5-(5-butyl-1-phenylbenzimidazol-2-yl)-3-phenylpyrazin-2-yl]-2,5-dipropylphenyl]-6-phenylpyrazin-2-yl]-1-phenylbenzimidazole
SMILESCCCCc1ccc2c(c1)nc(-c1cnc(-c3cc(CCC)c(-c4ncc(-c5nc6cc(CCCC)ccc6n5-c5ccccc5)nc4-c4ccccc4)cc3CCC)c(-c3ccccc3)n1)n2-c1ccccc1
InChIInChI=1S/C66H62N8/c1-5-9-25-45-35-37-59-55(39-45)71-65(73(59)51-31-19-13-20-32-51)57-43-67-63(61(69-57)47-27-15-11-16-28-47)53-41-50(24-8-4)54(42-49(53)23-7-3)64-62(48-29-17-12-18-30-48)70-58(44-68-64)66-72-56-40-46(26-10-6-2)36-38-60(56)74(66)52-33-21-14-22-34-52/h11-22,27-44H,5-10,23-26H2,1-4H3
InChIKeyJHBCWURWLOYTNZ-UHFFFAOYSA-N
MW967.28 g/mol
LogP16.54
Rot. Bonds18

About 5-butyl-2-[5-[4-[5-(5-butyl-1-phenylbenzimidazol-2-yl)-3-phenylpyrazin-2-yl]-2,5-dipropylphenyl]-6-phenylpyrazin-2-yl]-1-phenylbenzimidazole

5-butyl-2-[5-[4-[5-(5-butyl-1-phenylbenzimidazol-2-yl)-3-phenylpyrazin-2-yl]-2,5-dipropylphenyl]-6-phenylpyrazin-2-yl]-1-phenylbenzimidazole (PubChem CID 58250533) has the molecular formula C66H62N8 and a molecular weight of 967.28 g/mol. Its IUPAC name is 5-butyl-2-[5-[4-[5-(5-butyl-1-phenylbenzimidazol-2-yl)-3-phenylpyrazin-2-yl]-2,5-dipropylphenyl]-6-phenylpyrazin-2-yl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name5-butyl-2-[5-[4-[5-(5-butyl-1-phenylbenzimidazol-2-yl)-3-phenylpyrazin-2-yl]-2,5-dipropylphenyl]-6-phenylpyrazin-2-yl]-1-phenylbenzimidazole
PubChem CID58250533
Molecular FormulaC66H62N8
Molecular Weight967.28 g/mol
Exact Mass966.51
IUPAC Name5-butyl-2-[5-[4-[5-(5-butyl-1-phenylbenzimidazol-2-yl)-3-phenylpyrazin-2-yl]-2,5-dipropylphenyl]-6-phenylpyrazin-2-yl]-1-phenylbenzimidazole
SMILESCCCCc1ccc2c(c1)nc(-c1cnc(-c3cc(CCC)c(-c4ncc(-c5nc6cc(CCCC)ccc6n5-c5ccccc5)nc4-c4ccccc4)cc3CCC)c(-c3ccccc3)n1)n2-c1ccccc1
InChIInChI=1S/C66H62N8/c1-5-9-25-45-35-37-59-55(39-45)71-65(73(59)51-31-19-13-20-32-51)57-43-67-63(61(69-57)47-27-15-11-16-28-47)53-41-50(24-8-4)54(42-49(53)23-7-3)64-62(48-29-17-12-18-30-48)70-58(44-68-64)66-72-56-40-46(26-10-6-2)36-38-60(56)74(66)52-33-21-14-22-34-52/h11-22,27-44H,5-10,23-26H2,1-4H3
InChIKeyJHBCWURWLOYTNZ-UHFFFAOYSA-N
XLogP16.54
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500967.28
LogP ≤ 516.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-butyl-2-[5-[4-[5-(5-butyl-1-phenylbenzimidazol-2-yl)-3-phenylpyrazin-2-yl]-2,5-dipropylphenyl]-6-phenylpyrazin-2-yl]-1-phenylbenzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-[5-[4-[5-(5-butyl-1-phenylbenzimidazol-2-yl)-3-phenylpyrazin-2-yl]-2,5-dipropylphenyl]-6-phenylpyrazin-2-yl]-1-phenylbenzimidazole?
The IUPAC name of 5-butyl-2-[5-[4-[5-(5-butyl-1-phenylbenzimidazol-2-yl)-3-phenylpyrazin-2-yl]-2,5-dipropylphenyl]-6-phenylpyrazin-2-yl]-1-phenylbenzimidazole (CID 58250533) is 5-butyl-2-[5-[4-[5-(5-butyl-1-phenylbenzimidazol-2-yl)-3-phenylpyrazin-2-yl]-2,5-dipropylphenyl]-6-phenylpyrazin-2-yl]-1-phenylbenzimidazole.
What is the SMILES notation for 5-butyl-2-[5-[4-[5-(5-butyl-1-phenylbenzimidazol-2-yl)-3-phenylpyrazin-2-yl]-2,5-dipropylphenyl]-6-phenylpyrazin-2-yl]-1-phenylbenzimidazole?
The canonical SMILES for 5-butyl-2-[5-[4-[5-(5-butyl-1-phenylbenzimidazol-2-yl)-3-phenylpyrazin-2-yl]-2,5-dipropylphenyl]-6-phenylpyrazin-2-yl]-1-phenylbenzimidazole is CCCCc1ccc2c(c1)nc(-c1cnc(-c3cc(CCC)c(-c4ncc(-c5nc6cc(CCCC)ccc6n5-c5ccccc5)nc4-c4ccccc4)cc3CCC)c(-c3ccccc3)n1)n2-c1ccccc1.
What is the InChIKey of 5-butyl-2-[5-[4-[5-(5-butyl-1-phenylbenzimidazol-2-yl)-3-phenylpyrazin-2-yl]-2,5-dipropylphenyl]-6-phenylpyrazin-2-yl]-1-phenylbenzimidazole?
The InChIKey is JHBCWURWLOYTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H62N8/c1-5-9-25-45-35-37-59-55(39-45)71-65(73(59)51-31-19-13-20-32-51)57-43-67-63(61(69-57)47-27-15-11-16-28-47)53-41-50(24-8-4)54(42-49(53)23-7-3)64-62(48-29-17-12-18-30-48)70-58(44-68-64)66-72-56-40-46(26-10-6-2)36-38-60(56)74(66)52-33-21-14-22-34-52/h11-22,27-44H,5-10,23-26H2,1-4H3.
What are the key properties of 5-butyl-2-[5-[4-[5-(5-butyl-1-phenylbenzimidazol-2-yl)-3-phenylpyrazin-2-yl]-2,5-dipropylphenyl]-6-phenylpyrazin-2-yl]-1-phenylbenzimidazole?
5-butyl-2-[5-[4-[5-(5-butyl-1-phenylbenzimidazol-2-yl)-3-phenylpyrazin-2-yl]-2,5-dipropylphenyl]-6-phenylpyrazin-2-yl]-1-phenylbenzimidazole has a molecular weight of 967.28 g/mol, XLogP of 16.54, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-[5-[4-[5-(5-butyl-1-phenylbenzimidazol-2-yl)-3-phenylpyrazin-2-yl]-2,5-dipropylphenyl]-6-phenylpyrazin-2-yl]-1-phenylbenzimidazole is sourced from PubChem (CID 58250533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).