2-methyl-5-(6-methyl-3,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)benzene-1,4-diol;2-methyl-5-(6-methyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)benzene-1,4-diol;2-methyl-5-(11-methyl-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaen-5-yl)benzene-1,4-diol;6-methyl-2-[4-(4-methylphenyl)phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-[4-(4-methylphenyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2-methyl-5-(6-methyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-2-yl)benzene-1,4-diol;2-methyl-5-(6-methyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)benzene-1,4-diol

C123H95N19O16S4 — CID 159952660

About 2-methyl-5-(6-methyl-3,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)benzene-1,4-diol;2-methyl-5-(6-methyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)benzene-1,4-diol;2-methyl-5-(11-methyl-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaen-5-yl)benzene-1,4-diol;6-methyl-2-[4-(4-methylphenyl)phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-[4-(4-methylphenyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2-methyl-5-(6-methyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-2-yl)benzene-1,4-diol;2-methyl-5-(6-methyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)benzene-1,4-diol

2-methyl-5-(6-methyl-3,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)benzene-1,4-diol;2-methyl-5-(6-methyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)benzene-1,4-diol;2-methyl-5-(11-methyl-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaen-5-yl)benzene-1,4-diol;6-methyl-2-[4-(4-methylphenyl)phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-[4-(4-methylphenyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2-methyl-5-(6-methyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-2-yl)benzene-1,4-diol;2-methyl-5-(6-methyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)benzene-1,4-diol (PubChem CID 159952660) has the molecular formula C123H95N19O16S4 and a molecular weight of 2223.50 g/mol. Its IUPAC name is 2-methyl-5-(6-methyl-3,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)benzene-1,4-diol;2-methyl-5-(6-methyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)benzene-1,4-diol;2-methyl-5-(11-methyl-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaen-5-yl)benzene-1,4-diol;6-methyl-2-[4-(4-methylphenyl)phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-[4-(4-methylphenyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2-methyl-5-(6-methyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-2-yl)benzene-1,4-diol;2-methyl-5-(6-methyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)benzene-1,4-diol.

Molecular Properties

• Compound Name: 2-methyl-5-(6-methyl-3,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)benzene-1,4-diol;2-methyl-5-(6-methyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)benzene-1,4-diol;2-methyl-5-(11-methyl-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaen-5-yl)benzene-1,4-diol;6-methyl-2-[4-(4-methylphenyl)phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-[4-(4-methylphenyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2-methyl-5-(6-methyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-2-yl)benzene-1,4-diol;2-methyl-5-(6-methyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)benzene-1,4-diol
• PubChem CID: 159952660
• Molecular Formula: C123H95N19O16S4
• Molecular Weight: 2223.50 g/mol
• Exact Mass: 2221.61
• IUPAC Name: 2-methyl-5-(6-methyl-3,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)benzene-1,4-diol;2-methyl-5-(6-methyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)benzene-1,4-diol;2-methyl-5-(11-methyl-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaen-5-yl)benzene-1,4-diol;6-methyl-2-[4-(4-methylphenyl)phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-[4-(4-methylphenyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2-methyl-5-(6-methyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-2-yl)benzene-1,4-diol;2-methyl-5-(6-methyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)benzene-1,4-diol
• SMILES: Cc1ccc(-c2ccc(-c3nc4cc5nc(C)oc5cc4o3)cc2)cc1.Cc1ccc(-c2ccc(-c3nc4cc5oc(C)nc5cc4o3)cc2)cc1.Cc1nc2cc3nc(-c4cc(O)c(C)cc4O)[nH]c3cc2[nH]1.Cc1nc2cc3nc(-c4cc(O)c(C)cc4O)sc3cc2s1.Cc1nc2cc3oc(-c4cc(O)c(C)cc4O)nc3cc2o1.Cc1nc2cc3sc(-c4cc(O)c(C)cc4O)nc3cc2s1.Cc1nc2nc3nc(-c4cc(O)c(C)cc4O)[nH]c3cc2[nH]1
• InChI: InChI=1S/2C22H16N2O2.C16H14N4O2.C16H12N2O4.2C16H12N2O2S2.C15H13N5O2/c1-13-3-5-15(6-4-13)16-7-9-17(10-8-16)22-24-19-12-20-18(11-21(19)26-22)23-14(2)25-20;1-13-3-5-15(6-4-13)16-7-9-17(10-8-16)22-24-19-11-18-20(12-21(19)26-22)25-14(2)23-18;1-7-3-15(22)9(4-14(7)21)16-19-12-5-10-11(6-13(12)20-16)18-8(2)17-10;2*1-7-3-13(20)9(4-12(7)19)16-18-11-6-14-10(5-15(11)22-16)17-8(2)21-14;1-7-3-13(20)9(4-12(7)19)16-18-11-5-10-14(6-15(11)22-16)21-8(2)17-10;1-6-3-12(22)8(4-11(6)21)13-18-10-5-9-14(17-7(2)16-9)20-15(10)19-13/h2*3-12H,1-2H3;3-6,21-22H,1-2H3,(H,17,18)(H,19,20);3*3-6,19-20H,1-2H3;3-5,21-22H,1-2H3,(H2,16,17,18,19,20)
• InChIKey: OCHRMLYXZANIFN-UHFFFAOYSA-N
• XLogP: 30.37
• TPSA: 537.65 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 35
• Rotatable Bonds: 9
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2223.50
LogP ≤ 5	30.37
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(6-methyl-3,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)benzene-1,4-diol;2-methyl-5-(6-methyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)benzene-1,4-diol;2-methyl-5-(11-methyl-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaen-5-yl)benzene-1,4-diol;6-methyl-2-[4-(4-methylphenyl)phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-[4-(4-methylphenyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2-methyl-5-(6-methyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-2-yl)benzene-1,4-diol;2-methyl-5-(6-methyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)benzene-1,4-diol?

The IUPAC name of 2-methyl-5-(6-methyl-3,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)benzene-1,4-diol;2-methyl-5-(6-methyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)benzene-1,4-diol;2-methyl-5-(11-methyl-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaen-5-yl)benzene-1,4-diol;6-methyl-2-[4-(4-methylphenyl)phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-[4-(4-methylphenyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2-methyl-5-(6-methyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-2-yl)benzene-1,4-diol;2-methyl-5-(6-methyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)benzene-1,4-diol (CID 159952660) is 2-methyl-5-(6-methyl-3,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)benzene-1,4-diol;2-methyl-5-(6-methyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)benzene-1,4-diol;2-methyl-5-(11-methyl-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaen-5-yl)benzene-1,4-diol;6-methyl-2-[4-(4-methylphenyl)phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-[4-(4-methylphenyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2-methyl-5-(6-methyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-2-yl)benzene-1,4-diol;2-methyl-5-(6-methyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)benzene-1,4-diol.

What is the SMILES notation for 2-methyl-5-(6-methyl-3,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)benzene-1,4-diol;2-methyl-5-(6-methyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)benzene-1,4-diol;2-methyl-5-(11-methyl-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaen-5-yl)benzene-1,4-diol;6-methyl-2-[4-(4-methylphenyl)phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-[4-(4-methylphenyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2-methyl-5-(6-methyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-2-yl)benzene-1,4-diol;2-methyl-5-(6-methyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)benzene-1,4-diol?

The canonical SMILES for 2-methyl-5-(6-methyl-3,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)benzene-1,4-diol;2-methyl-5-(6-methyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)benzene-1,4-diol;2-methyl-5-(11-methyl-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaen-5-yl)benzene-1,4-diol;6-methyl-2-[4-(4-methylphenyl)phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-[4-(4-methylphenyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2-methyl-5-(6-methyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-2-yl)benzene-1,4-diol;2-methyl-5-(6-methyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)benzene-1,4-diol is Cc1ccc(-c2ccc(-c3nc4cc5nc(C)oc5cc4o3)cc2)cc1.Cc1ccc(-c2ccc(-c3nc4cc5oc(C)nc5cc4o3)cc2)cc1.Cc1nc2cc3nc(-c4cc(O)c(C)cc4O)[nH]c3cc2[nH]1.Cc1nc2cc3nc(-c4cc(O)c(C)cc4O)sc3cc2s1.Cc1nc2cc3oc(-c4cc(O)c(C)cc4O)nc3cc2o1.Cc1nc2cc3sc(-c4cc(O)c(C)cc4O)nc3cc2s1.Cc1nc2nc3nc(-c4cc(O)c(C)cc4O)[nH]c3cc2[nH]1.

What is the InChIKey of 2-methyl-5-(6-methyl-3,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)benzene-1,4-diol;2-methyl-5-(6-methyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)benzene-1,4-diol;2-methyl-5-(11-methyl-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaen-5-yl)benzene-1,4-diol;6-methyl-2-[4-(4-methylphenyl)phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-[4-(4-methylphenyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2-methyl-5-(6-methyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-2-yl)benzene-1,4-diol;2-methyl-5-(6-methyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)benzene-1,4-diol?

The InChIKey is OCHRMLYXZANIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H16N2O2.C16H14N4O2.C16H12N2O4.2C16H12N2O2S2.C15H13N5O2/c1-13-3-5-15(6-4-13)16-7-9-17(10-8-16)22-24-19-12-20-18(11-21(19)26-22)23-14(2)25-20;1-13-3-5-15(6-4-13)16-7-9-17(10-8-16)22-24-19-11-18-20(12-21(19)26-22)25-14(2)23-18;1-7-3-15(22)9(4-14(7)21)16-19-12-5-10-11(6-13(12)20-16)18-8(2)17-10;2*1-7-3-13(20)9(4-12(7)19)16-18-11-6-14-10(5-15(11)22-16)17-8(2)21-14;1-7-3-13(20)9(4-12(7)19)16-18-11-5-10-14(6-15(11)22-16)21-8(2)17-10;1-6-3-12(22)8(4-11(6)21)13-18-10-5-9-14(17-7(2)16-9)20-15(10)19-13/h2*3-12H,1-2H3;3-6,21-22H,1-2H3,(H,17,18)(H,19,20);3*3-6,19-20H,1-2H3;3-5,21-22H,1-2H3,(H2,16,17,18,19,20).

What are the key properties of 2-methyl-5-(6-methyl-3,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)benzene-1,4-diol;2-methyl-5-(6-methyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)benzene-1,4-diol;2-methyl-5-(11-methyl-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaen-5-yl)benzene-1,4-diol;6-methyl-2-[4-(4-methylphenyl)phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-[4-(4-methylphenyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2-methyl-5-(6-methyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-2-yl)benzene-1,4-diol;2-methyl-5-(6-methyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)benzene-1,4-diol?

2-methyl-5-(6-methyl-3,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)benzene-1,4-diol;2-methyl-5-(6-methyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)benzene-1,4-diol;2-methyl-5-(11-methyl-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaen-5-yl)benzene-1,4-diol;6-methyl-2-[4-(4-methylphenyl)phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-[4-(4-methylphenyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2-methyl-5-(6-methyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-2-yl)benzene-1,4-diol;2-methyl-5-(6-methyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)benzene-1,4-diol has a molecular weight of 2223.50 g/mol, XLogP of 30.37, 9 rotatable bonds, 14 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-(6-methyl-3,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)benzene-1,4-diol;2-methyl-5-(6-methyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)benzene-1,4-diol;2-methyl-5-(11-methyl-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaen-5-yl)benzene-1,4-diol;6-methyl-2-[4-(4-methylphenyl)phenyl]-[1,3]oxazolo[4,5-f][1,3]benzoxazole;6-methyl-2-[4-(4-methylphenyl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2-methyl-5-(6-methyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-2-yl)benzene-1,4-diol;2-methyl-5-(6-methyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)benzene-1,4-diol is sourced from PubChem (CID 159952660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).