1,5-dimethylbenzimidazole;3,7-dimethylimidazo[4,5-f]benzimidazole;1,1-dimethylindene;2,5-dimethylthiophene;5-methyl-1-benzofuran;1-methylbenzotriazole;4-methylisoquinoline;10-methylphenothiazine;1-methylpyrazole;1-methylpyrrolo[3,2-c]pyridine;2,3,7,8-tetramethyldibenzo-p-dioxin;N,N,4-trimethylaniline;3,7,10-trimethylphenoxazine

C127H133N17O4S2 — CID 157380043

About 1,5-dimethylbenzimidazole;3,7-dimethylimidazo[4,5-f]benzimidazole;1,1-dimethylindene;2,5-dimethylthiophene;5-methyl-1-benzofuran;1-methylbenzotriazole;4-methylisoquinoline;10-methylphenothiazine;1-methylpyrazole;1-methylpyrrolo[3,2-c]pyridine;2,3,7,8-tetramethyldibenzo-p-dioxin;N,N,4-trimethylaniline;3,7,10-trimethylphenoxazine

1,5-dimethylbenzimidazole;3,7-dimethylimidazo[4,5-f]benzimidazole;1,1-dimethylindene;2,5-dimethylthiophene;5-methyl-1-benzofuran;1-methylbenzotriazole;4-methylisoquinoline;10-methylphenothiazine;1-methylpyrazole;1-methylpyrrolo[3,2-c]pyridine;2,3,7,8-tetramethyldibenzo-p-dioxin;N,N,4-trimethylaniline;3,7,10-trimethylphenoxazine (PubChem CID 157380043) has the molecular formula C127H133N17O4S2 and a molecular weight of 2025.71 g/mol. Its IUPAC name is 1,5-dimethylbenzimidazole;3,7-dimethylimidazo[4,5-f]benzimidazole;1,1-dimethylindene;2,5-dimethylthiophene;5-methyl-1-benzofuran;1-methylbenzotriazole;4-methylisoquinoline;10-methylphenothiazine;1-methylpyrazole;1-methylpyrrolo[3,2-c]pyridine;2,3,7,8-tetramethyldibenzo-p-dioxin;N,N,4-trimethylaniline;3,7,10-trimethylphenoxazine.

Molecular Properties

• Compound Name: 1,5-dimethylbenzimidazole;3,7-dimethylimidazo[4,5-f]benzimidazole;1,1-dimethylindene;2,5-dimethylthiophene;5-methyl-1-benzofuran;1-methylbenzotriazole;4-methylisoquinoline;10-methylphenothiazine;1-methylpyrazole;1-methylpyrrolo[3,2-c]pyridine;2,3,7,8-tetramethyldibenzo-p-dioxin;N,N,4-trimethylaniline;3,7,10-trimethylphenoxazine
• PubChem CID: 157380043
• Molecular Formula: C127H133N17O4S2
• Molecular Weight: 2025.71 g/mol
• Exact Mass: 2024.02
• IUPAC Name: 1,5-dimethylbenzimidazole;3,7-dimethylimidazo[4,5-f]benzimidazole;1,1-dimethylindene;2,5-dimethylthiophene;5-methyl-1-benzofuran;1-methylbenzotriazole;4-methylisoquinoline;10-methylphenothiazine;1-methylpyrazole;1-methylpyrrolo[3,2-c]pyridine;2,3,7,8-tetramethyldibenzo-p-dioxin;N,N,4-trimethylaniline;3,7,10-trimethylphenoxazine
• SMILES: CC1(C)C=Cc2ccccc21.CN1c2ccccc2Sc2ccccc21.Cc1cc2c(cc1C)Oc1cc(C)c(C)cc1O2.Cc1ccc(C)s1.Cc1ccc(N(C)C)cc1.Cc1ccc2c(c1)Oc1cc(C)ccc1N2C.Cc1ccc2c(c1)ncn2C.Cc1ccc2occc2c1.Cc1cncc2ccccc12.Cn1ccc2cnccc21.Cn1cccn1.Cn1cnc2cc3c(cc21)ncn3C.Cn1nnc2ccccc21
• InChI: InChI=1S/C16H16O2.C15H15NO.C13H11NS.C11H12.C10H10N4.C10H9N.C9H10N2.C9H13N.C9H8O.C8H8N2.C7H7N3.C6H8S.C4H6N2/c1-9-5-13-14(6-10(9)2)18-16-8-12(4)11(3)7-15(16)17-13;1-10-4-6-12-14(8-10)17-15-9-11(2)5-7-13(15)16(12)3;1-14-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14;1-11(2)8-7-9-5-3-4-6-10(9)11;1-13-5-11-7-4-10-8(3-9(7)13)12-6-14(10)2;1-8-6-11-7-9-4-2-3-5-10(8)9;1-7-3-4-9-8(5-7)10-6-11(9)2;1-8-4-6-9(7-5-8)10(2)3;1-7-2-3-9-8(6-7)4-5-10-9;1-10-5-3-7-6-9-4-2-8(7)10;1-10-7-5-3-2-4-6(7)8-9-10;1-5-3-4-6(2)7-5;1-6-4-2-3-5-6/h5-8H,1-4H3;4-9H,1-3H3;2-9H,1H3;3-8H,1-2H3;3-6H,1-2H3;2-7H,1H3;3-6H,1-2H3;4-7H,1-3H3;2*2-6H,1H3;2-5H,1H3;3-4H,1-2H3;2-4H,1H3
• InChIKey: BKTSCIKUAOGKDX-UHFFFAOYSA-N
• XLogP: 31.92
• TPSA: 183.25 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 1
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2025.71
LogP ≤ 5	31.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylbenzimidazole;3,7-dimethylimidazo[4,5-f]benzimidazole;1,1-dimethylindene;2,5-dimethylthiophene;5-methyl-1-benzofuran;1-methylbenzotriazole;4-methylisoquinoline;10-methylphenothiazine;1-methylpyrazole;1-methylpyrrolo[3,2-c]pyridine;2,3,7,8-tetramethyldibenzo-p-dioxin;N,N,4-trimethylaniline;3,7,10-trimethylphenoxazine?

The IUPAC name of 1,5-dimethylbenzimidazole;3,7-dimethylimidazo[4,5-f]benzimidazole;1,1-dimethylindene;2,5-dimethylthiophene;5-methyl-1-benzofuran;1-methylbenzotriazole;4-methylisoquinoline;10-methylphenothiazine;1-methylpyrazole;1-methylpyrrolo[3,2-c]pyridine;2,3,7,8-tetramethyldibenzo-p-dioxin;N,N,4-trimethylaniline;3,7,10-trimethylphenoxazine (CID 157380043) is 1,5-dimethylbenzimidazole;3,7-dimethylimidazo[4,5-f]benzimidazole;1,1-dimethylindene;2,5-dimethylthiophene;5-methyl-1-benzofuran;1-methylbenzotriazole;4-methylisoquinoline;10-methylphenothiazine;1-methylpyrazole;1-methylpyrrolo[3,2-c]pyridine;2,3,7,8-tetramethyldibenzo-p-dioxin;N,N,4-trimethylaniline;3,7,10-trimethylphenoxazine.

What is the SMILES notation for 1,5-dimethylbenzimidazole;3,7-dimethylimidazo[4,5-f]benzimidazole;1,1-dimethylindene;2,5-dimethylthiophene;5-methyl-1-benzofuran;1-methylbenzotriazole;4-methylisoquinoline;10-methylphenothiazine;1-methylpyrazole;1-methylpyrrolo[3,2-c]pyridine;2,3,7,8-tetramethyldibenzo-p-dioxin;N,N,4-trimethylaniline;3,7,10-trimethylphenoxazine?

The canonical SMILES for 1,5-dimethylbenzimidazole;3,7-dimethylimidazo[4,5-f]benzimidazole;1,1-dimethylindene;2,5-dimethylthiophene;5-methyl-1-benzofuran;1-methylbenzotriazole;4-methylisoquinoline;10-methylphenothiazine;1-methylpyrazole;1-methylpyrrolo[3,2-c]pyridine;2,3,7,8-tetramethyldibenzo-p-dioxin;N,N,4-trimethylaniline;3,7,10-trimethylphenoxazine is CC1(C)C=Cc2ccccc21.CN1c2ccccc2Sc2ccccc21.Cc1cc2c(cc1C)Oc1cc(C)c(C)cc1O2.Cc1ccc(C)s1.Cc1ccc(N(C)C)cc1.Cc1ccc2c(c1)Oc1cc(C)ccc1N2C.Cc1ccc2c(c1)ncn2C.Cc1ccc2occc2c1.Cc1cncc2ccccc12.Cn1ccc2cnccc21.Cn1cccn1.Cn1cnc2cc3c(cc21)ncn3C.Cn1nnc2ccccc21.

What is the InChIKey of 1,5-dimethylbenzimidazole;3,7-dimethylimidazo[4,5-f]benzimidazole;1,1-dimethylindene;2,5-dimethylthiophene;5-methyl-1-benzofuran;1-methylbenzotriazole;4-methylisoquinoline;10-methylphenothiazine;1-methylpyrazole;1-methylpyrrolo[3,2-c]pyridine;2,3,7,8-tetramethyldibenzo-p-dioxin;N,N,4-trimethylaniline;3,7,10-trimethylphenoxazine?

The InChIKey is BKTSCIKUAOGKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2.C15H15NO.C13H11NS.C11H12.C10H10N4.C10H9N.C9H10N2.C9H13N.C9H8O.C8H8N2.C7H7N3.C6H8S.C4H6N2/c1-9-5-13-14(6-10(9)2)18-16-8-12(4)11(3)7-15(16)17-13;1-10-4-6-12-14(8-10)17-15-9-11(2)5-7-13(15)16(12)3;1-14-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14;1-11(2)8-7-9-5-3-4-6-10(9)11;1-13-5-11-7-4-10-8(3-9(7)13)12-6-14(10)2;1-8-6-11-7-9-4-2-3-5-10(8)9;1-7-3-4-9-8(5-7)10-6-11(9)2;1-8-4-6-9(7-5-8)10(2)3;1-7-2-3-9-8(6-7)4-5-10-9;1-10-5-3-7-6-9-4-2-8(7)10;1-10-7-5-3-2-4-6(7)8-9-10;1-5-3-4-6(2)7-5;1-6-4-2-3-5-6/h5-8H,1-4H3;4-9H,1-3H3;2-9H,1H3;3-8H,1-2H3;3-6H,1-2H3;2-7H,1H3;3-6H,1-2H3;4-7H,1-3H3;2*2-6H,1H3;2-5H,1H3;3-4H,1-2H3;2-4H,1H3.

What are the key properties of 1,5-dimethylbenzimidazole;3,7-dimethylimidazo[4,5-f]benzimidazole;1,1-dimethylindene;2,5-dimethylthiophene;5-methyl-1-benzofuran;1-methylbenzotriazole;4-methylisoquinoline;10-methylphenothiazine;1-methylpyrazole;1-methylpyrrolo[3,2-c]pyridine;2,3,7,8-tetramethyldibenzo-p-dioxin;N,N,4-trimethylaniline;3,7,10-trimethylphenoxazine?

1,5-dimethylbenzimidazole;3,7-dimethylimidazo[4,5-f]benzimidazole;1,1-dimethylindene;2,5-dimethylthiophene;5-methyl-1-benzofuran;1-methylbenzotriazole;4-methylisoquinoline;10-methylphenothiazine;1-methylpyrazole;1-methylpyrrolo[3,2-c]pyridine;2,3,7,8-tetramethyldibenzo-p-dioxin;N,N,4-trimethylaniline;3,7,10-trimethylphenoxazine has a molecular weight of 2025.71 g/mol, XLogP of 31.92, 1 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5-dimethylbenzimidazole;3,7-dimethylimidazo[4,5-f]benzimidazole;1,1-dimethylindene;2,5-dimethylthiophene;5-methyl-1-benzofuran;1-methylbenzotriazole;4-methylisoquinoline;10-methylphenothiazine;1-methylpyrazole;1-methylpyrrolo[3,2-c]pyridine;2,3,7,8-tetramethyldibenzo-p-dioxin;N,N,4-trimethylaniline;3,7,10-trimethylphenoxazine is sourced from PubChem (CID 157380043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).