methane;methanesulfonic acid;2-[4-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-6-[2-(5-methyl-2-pyridinyl)-1H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[3-[6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazole;6-methyl-2-(3-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole

C98H113N19O12S4 — CID 161484689

IUPACmethane;methanesulfonic acid;2-[4-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-6-[2-(5-methyl-2-pyridinyl)-1H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[3-[6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazole;6-methyl-2-(3-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole
SMILESC.C.C.C.C.C.C.C.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.Cc1ccc(-c2nc3cc(-c4ccc5nc(-c6ccc(-c7nc8cc(-c9ccc%10nc(C)[nH]c%10c9)ccc8[nH]7)cc6)[nH]c5c4)ccc3[nH]2)nc1.Cc1cccc(-c2nc3cc4nc(C)[nH]c4cc3[nH]2)c1.Cc1nc2ccc(-c3cccc(-c4nc5ccc(-c6ccc7nc(C)[nH]c7c6)cc5[nH]4)c3)cc2[nH]1
InChIInChI=1S/C41H29N9.C29H22N6.C16H14N4.4CH4O3S.8CH4/c1-22-3-12-34(42-21-22)41-47-33-16-11-29(20-38(33)50-41)28-10-15-32-37(19-28)49-40(46-32)25-6-4-24(5-7-25)39-45-31-14-9-27(18-36(31)48-39)26-8-13-30-35(17-26)44-23(2)43-30;1-16-30-23-9-6-19(13-26(23)32-16)18-4-3-5-22(12-18)29-34-25-11-8-21(15-28(25)35-29)20-7-10-24-27(14-20)33-17(2)31-24;1-9-4-3-5-11(6-9)16-19-14-7-12-13(8-15(14)20-16)18-10(2)17-12;4*1-5(2,3)4;;;;;;;;/h3-21H,1-2H3,(H,43,44)(H,45,48)(H,46,49)(H,47,50);3-15H,1-2H3,(H,30,32)(H,31,33)(H,34,35);3-8H,1-2H3,(H,17,18)(H,19,20);4*1H3,(H,2,3,4);8*1H4
InChIKeyCEBZEHANEOZNIX-UHFFFAOYSA-N
MW1877.37 g/mol
LogP23.30
Rot. Bonds9

About methane;methanesulfonic acid;2-[4-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-6-[2-(5-methyl-2-pyridinyl)-1H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[3-[6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazole;6-methyl-2-(3-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole

methane;methanesulfonic acid;2-[4-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-6-[2-(5-methyl-2-pyridinyl)-1H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[3-[6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazole;6-methyl-2-(3-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole (PubChem CID 161484689) has the molecular formula C98H113N19O12S4 and a molecular weight of 1877.37 g/mol. Its IUPAC name is methane;methanesulfonic acid;2-[4-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-6-[2-(5-methyl-2-pyridinyl)-1H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[3-[6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazole;6-methyl-2-(3-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole.

Molecular Properties

Compound Namemethane;methanesulfonic acid;2-[4-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-6-[2-(5-methyl-2-pyridinyl)-1H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[3-[6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazole;6-methyl-2-(3-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole
PubChem CID161484689
Molecular FormulaC98H113N19O12S4
Molecular Weight1877.37 g/mol
Exact Mass1875.77
IUPAC Namemethane;methanesulfonic acid;2-[4-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-6-[2-(5-methyl-2-pyridinyl)-1H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[3-[6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazole;6-methyl-2-(3-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole
SMILESC.C.C.C.C.C.C.C.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.Cc1ccc(-c2nc3cc(-c4ccc5nc(-c6ccc(-c7nc8cc(-c9ccc%10nc(C)[nH]c%10c9)ccc8[nH]7)cc6)[nH]c5c4)ccc3[nH]2)nc1.Cc1cccc(-c2nc3cc4nc(C)[nH]c4cc3[nH]2)c1.Cc1nc2ccc(-c3cccc(-c4nc5ccc(-c6ccc7nc(C)[nH]c7c6)cc5[nH]4)c3)cc2[nH]1
InChIInChI=1S/C41H29N9.C29H22N6.C16H14N4.4CH4O3S.8CH4/c1-22-3-12-34(42-21-22)41-47-33-16-11-29(20-38(33)50-41)28-10-15-32-37(19-28)49-40(46-32)25-6-4-24(5-7-25)39-45-31-14-9-27(18-36(31)48-39)26-8-13-30-35(17-26)44-23(2)43-30;1-16-30-23-9-6-19(13-26(23)32-16)18-4-3-5-22(12-18)29-34-25-11-8-21(15-28(25)35-29)20-7-10-24-27(14-20)33-17(2)31-24;1-9-4-3-5-11(6-9)16-19-14-7-12-13(8-15(14)20-16)18-10(2)17-12;4*1-5(2,3)4;;;;;;;;/h3-21H,1-2H3,(H,43,44)(H,45,48)(H,46,49)(H,47,50);3-15H,1-2H3,(H,30,32)(H,31,33)(H,34,35);3-8H,1-2H3,(H,17,18)(H,19,20);4*1H3,(H,2,3,4);8*1H4
InChIKeyCEBZEHANEOZNIX-UHFFFAOYSA-N
XLogP23.30
TPSA488.49 Ų
H-Bond Donors13
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001877.37
LogP ≤ 523.30
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze methane;methanesulfonic acid;2-[4-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-6-[2-(5-methyl-2-pyridinyl)-1H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[3-[6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazole;6-methyl-2-(3-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;methanesulfonic acid;2-[4-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-6-[2-(5-methyl-2-pyridinyl)-1H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[3-[6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazole;6-methyl-2-(3-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole?
The IUPAC name of methane;methanesulfonic acid;2-[4-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-6-[2-(5-methyl-2-pyridinyl)-1H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[3-[6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazole;6-methyl-2-(3-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole (CID 161484689) is methane;methanesulfonic acid;2-[4-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-6-[2-(5-methyl-2-pyridinyl)-1H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[3-[6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazole;6-methyl-2-(3-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole.
What is the SMILES notation for methane;methanesulfonic acid;2-[4-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-6-[2-(5-methyl-2-pyridinyl)-1H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[3-[6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazole;6-methyl-2-(3-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole?
The canonical SMILES for methane;methanesulfonic acid;2-[4-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-6-[2-(5-methyl-2-pyridinyl)-1H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[3-[6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazole;6-methyl-2-(3-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole is C.C.C.C.C.C.C.C.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.Cc1ccc(-c2nc3cc(-c4ccc5nc(-c6ccc(-c7nc8cc(-c9ccc%10nc(C)[nH]c%10c9)ccc8[nH]7)cc6)[nH]c5c4)ccc3[nH]2)nc1.Cc1cccc(-c2nc3cc4nc(C)[nH]c4cc3[nH]2)c1.Cc1nc2ccc(-c3cccc(-c4nc5ccc(-c6ccc7nc(C)[nH]c7c6)cc5[nH]4)c3)cc2[nH]1.
What is the InChIKey of methane;methanesulfonic acid;2-[4-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-6-[2-(5-methyl-2-pyridinyl)-1H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[3-[6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazole;6-methyl-2-(3-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole?
The InChIKey is CEBZEHANEOZNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N9.C29H22N6.C16H14N4.4CH4O3S.8CH4/c1-22-3-12-34(42-21-22)41-47-33-16-11-29(20-38(33)50-41)28-10-15-32-37(19-28)49-40(46-32)25-6-4-24(5-7-25)39-45-31-14-9-27(18-36(31)48-39)26-8-13-30-35(17-26)44-23(2)43-30;1-16-30-23-9-6-19(13-26(23)32-16)18-4-3-5-22(12-18)29-34-25-11-8-21(15-28(25)35-29)20-7-10-24-27(14-20)33-17(2)31-24;1-9-4-3-5-11(6-9)16-19-14-7-12-13(8-15(14)20-16)18-10(2)17-12;4*1-5(2,3)4;;;;;;;;/h3-21H,1-2H3,(H,43,44)(H,45,48)(H,46,49)(H,47,50);3-15H,1-2H3,(H,30,32)(H,31,33)(H,34,35);3-8H,1-2H3,(H,17,18)(H,19,20);4*1H3,(H,2,3,4);8*1H4.
What are the key properties of methane;methanesulfonic acid;2-[4-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-6-[2-(5-methyl-2-pyridinyl)-1H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[3-[6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazole;6-methyl-2-(3-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole?
methane;methanesulfonic acid;2-[4-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-6-[2-(5-methyl-2-pyridinyl)-1H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[3-[6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazole;6-methyl-2-(3-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole has a molecular weight of 1877.37 g/mol, XLogP of 23.30, 9 rotatable bonds, 13 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methanesulfonic acid;2-[4-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-6-[2-(5-methyl-2-pyridinyl)-1H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[3-[6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-1H-benzimidazole;6-methyl-2-(3-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole is sourced from PubChem (CID 161484689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).