2-[5-[4-[3,6-dimethyl-5-(1,4,5,6,7-pentamethylbenzimidazol-2-yl)pyrazin-2-yl]-2,3,5,6-tetramethylphenyl]-3,6-dimethylpyrazin-2-yl]-1,4,5,6,7-pentamethylbenzimidazole

C46H54N8 — CID 58250528

IUPAC2-[5-[4-[3,6-dimethyl-5-(1,4,5,6,7-pentamethylbenzimidazol-2-yl)pyrazin-2-yl]-2,3,5,6-tetramethylphenyl]-3,6-dimethylpyrazin-2-yl]-1,4,5,6,7-pentamethylbenzimidazole
SMILESCc1nc(-c2nc3c(C)c(C)c(C)c(C)c3n2C)c(C)nc1-c1c(C)c(C)c(-c2nc(C)c(-c3nc4c(C)c(C)c(C)c(C)c4n3C)nc2C)c(C)c1C
InChIInChI=1S/C46H54N8/c1-19-21(3)29(11)43-37(27(19)9)51-45(53(43)17)41-33(15)47-39(31(13)49-41)35-23(5)25(7)36(26(8)24(35)6)40-32(14)50-42(34(16)48-40)46-52-38-28(10)20(2)22(4)30(12)44(38)54(46)18/h1-18H3
InChIKeyJDKIURIQIMTUJQ-UHFFFAOYSA-N
MW718.99 g/mol
LogP10.64
Rot. Bonds4

About 2-[5-[4-[3,6-dimethyl-5-(1,4,5,6,7-pentamethylbenzimidazol-2-yl)pyrazin-2-yl]-2,3,5,6-tetramethylphenyl]-3,6-dimethylpyrazin-2-yl]-1,4,5,6,7-pentamethylbenzimidazole

2-[5-[4-[3,6-dimethyl-5-(1,4,5,6,7-pentamethylbenzimidazol-2-yl)pyrazin-2-yl]-2,3,5,6-tetramethylphenyl]-3,6-dimethylpyrazin-2-yl]-1,4,5,6,7-pentamethylbenzimidazole (PubChem CID 58250528) has the molecular formula C46H54N8 and a molecular weight of 718.99 g/mol. Its IUPAC name is 2-[5-[4-[3,6-dimethyl-5-(1,4,5,6,7-pentamethylbenzimidazol-2-yl)pyrazin-2-yl]-2,3,5,6-tetramethylphenyl]-3,6-dimethylpyrazin-2-yl]-1,4,5,6,7-pentamethylbenzimidazole.

Molecular Properties

Compound Name2-[5-[4-[3,6-dimethyl-5-(1,4,5,6,7-pentamethylbenzimidazol-2-yl)pyrazin-2-yl]-2,3,5,6-tetramethylphenyl]-3,6-dimethylpyrazin-2-yl]-1,4,5,6,7-pentamethylbenzimidazole
PubChem CID58250528
Molecular FormulaC46H54N8
Molecular Weight718.99 g/mol
Exact Mass718.45
IUPAC Name2-[5-[4-[3,6-dimethyl-5-(1,4,5,6,7-pentamethylbenzimidazol-2-yl)pyrazin-2-yl]-2,3,5,6-tetramethylphenyl]-3,6-dimethylpyrazin-2-yl]-1,4,5,6,7-pentamethylbenzimidazole
SMILESCc1nc(-c2nc3c(C)c(C)c(C)c(C)c3n2C)c(C)nc1-c1c(C)c(C)c(-c2nc(C)c(-c3nc4c(C)c(C)c(C)c(C)c4n3C)nc2C)c(C)c1C
InChIInChI=1S/C46H54N8/c1-19-21(3)29(11)43-37(27(19)9)51-45(53(43)17)41-33(15)47-39(31(13)49-41)35-23(5)25(7)36(26(8)24(35)6)40-32(14)50-42(34(16)48-40)46-52-38-28(10)20(2)22(4)30(12)44(38)54(46)18/h1-18H3
InChIKeyJDKIURIQIMTUJQ-UHFFFAOYSA-N
XLogP10.64
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.99
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[5-[4-[3,6-dimethyl-5-(1,4,5,6,7-pentamethylbenzimidazol-2-yl)pyrazin-2-yl]-2,3,5,6-tetramethylphenyl]-3,6-dimethylpyrazin-2-yl]-1,4,5,6,7-pentamethylbenzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[3,6-dimethyl-5-(1,4,5,6,7-pentamethylbenzimidazol-2-yl)pyrazin-2-yl]-2,3,5,6-tetramethylphenyl]-3,6-dimethylpyrazin-2-yl]-1,4,5,6,7-pentamethylbenzimidazole?
The IUPAC name of 2-[5-[4-[3,6-dimethyl-5-(1,4,5,6,7-pentamethylbenzimidazol-2-yl)pyrazin-2-yl]-2,3,5,6-tetramethylphenyl]-3,6-dimethylpyrazin-2-yl]-1,4,5,6,7-pentamethylbenzimidazole (CID 58250528) is 2-[5-[4-[3,6-dimethyl-5-(1,4,5,6,7-pentamethylbenzimidazol-2-yl)pyrazin-2-yl]-2,3,5,6-tetramethylphenyl]-3,6-dimethylpyrazin-2-yl]-1,4,5,6,7-pentamethylbenzimidazole.
What is the SMILES notation for 2-[5-[4-[3,6-dimethyl-5-(1,4,5,6,7-pentamethylbenzimidazol-2-yl)pyrazin-2-yl]-2,3,5,6-tetramethylphenyl]-3,6-dimethylpyrazin-2-yl]-1,4,5,6,7-pentamethylbenzimidazole?
The canonical SMILES for 2-[5-[4-[3,6-dimethyl-5-(1,4,5,6,7-pentamethylbenzimidazol-2-yl)pyrazin-2-yl]-2,3,5,6-tetramethylphenyl]-3,6-dimethylpyrazin-2-yl]-1,4,5,6,7-pentamethylbenzimidazole is Cc1nc(-c2nc3c(C)c(C)c(C)c(C)c3n2C)c(C)nc1-c1c(C)c(C)c(-c2nc(C)c(-c3nc4c(C)c(C)c(C)c(C)c4n3C)nc2C)c(C)c1C.
What is the InChIKey of 2-[5-[4-[3,6-dimethyl-5-(1,4,5,6,7-pentamethylbenzimidazol-2-yl)pyrazin-2-yl]-2,3,5,6-tetramethylphenyl]-3,6-dimethylpyrazin-2-yl]-1,4,5,6,7-pentamethylbenzimidazole?
The InChIKey is JDKIURIQIMTUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H54N8/c1-19-21(3)29(11)43-37(27(19)9)51-45(53(43)17)41-33(15)47-39(31(13)49-41)35-23(5)25(7)36(26(8)24(35)6)40-32(14)50-42(34(16)48-40)46-52-38-28(10)20(2)22(4)30(12)44(38)54(46)18/h1-18H3.
What are the key properties of 2-[5-[4-[3,6-dimethyl-5-(1,4,5,6,7-pentamethylbenzimidazol-2-yl)pyrazin-2-yl]-2,3,5,6-tetramethylphenyl]-3,6-dimethylpyrazin-2-yl]-1,4,5,6,7-pentamethylbenzimidazole?
2-[5-[4-[3,6-dimethyl-5-(1,4,5,6,7-pentamethylbenzimidazol-2-yl)pyrazin-2-yl]-2,3,5,6-tetramethylphenyl]-3,6-dimethylpyrazin-2-yl]-1,4,5,6,7-pentamethylbenzimidazole has a molecular weight of 718.99 g/mol, XLogP of 10.64, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-[3,6-dimethyl-5-(1,4,5,6,7-pentamethylbenzimidazol-2-yl)pyrazin-2-yl]-2,3,5,6-tetramethylphenyl]-3,6-dimethylpyrazin-2-yl]-1,4,5,6,7-pentamethylbenzimidazole is sourced from PubChem (CID 58250528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).