1-methylbenzimidazole;2-methyl-3H-1,2-benzothiazole;3-methyl-2H-1,3-benzoxazole;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;3-methyl-2,4-dihydro-1H-phthalazine;6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;2-methyl-1,3-dihydropyrrolo[3,4-c]pyridine;1-methyl-3,4-dihydro-2H-quinazoline;3-methyl-2,4-dihydro-1H-quinazoline;4-methyl-2,3-dihydro-1H-quinoxaline;1-methylindole;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-c]pyridine;1-methyl-2,3,6,7-tetrahydropurine

C135H164N28OS — CID 157428149

About 1-methylbenzimidazole;2-methyl-3H-1,2-benzothiazole;3-methyl-2H-1,3-benzoxazole;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;3-methyl-2,4-dihydro-1H-phthalazine;6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;2-methyl-1,3-dihydropyrrolo[3,4-c]pyridine;1-methyl-3,4-dihydro-2H-quinazoline;3-methyl-2,4-dihydro-1H-quinazoline;4-methyl-2,3-dihydro-1H-quinoxaline;1-methylindole;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-c]pyridine;1-methyl-2,3,6,7-tetrahydropurine

1-methylbenzimidazole;2-methyl-3H-1,2-benzothiazole;3-methyl-2H-1,3-benzoxazole;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;3-methyl-2,4-dihydro-1H-phthalazine;6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;2-methyl-1,3-dihydropyrrolo[3,4-c]pyridine;1-methyl-3,4-dihydro-2H-quinazoline;3-methyl-2,4-dihydro-1H-quinazoline;4-methyl-2,3-dihydro-1H-quinoxaline;1-methylindole;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-c]pyridine;1-methyl-2,3,6,7-tetrahydropurine (PubChem CID 157428149) has the molecular formula C135H164N28OS and a molecular weight of 2227.06 g/mol. Its IUPAC name is 1-methylbenzimidazole;2-methyl-3H-1,2-benzothiazole;3-methyl-2H-1,3-benzoxazole;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;3-methyl-2,4-dihydro-1H-phthalazine;6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;2-methyl-1,3-dihydropyrrolo[3,4-c]pyridine;1-methyl-3,4-dihydro-2H-quinazoline;3-methyl-2,4-dihydro-1H-quinazoline;4-methyl-2,3-dihydro-1H-quinoxaline;1-methylindole;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-c]pyridine;1-methyl-2,3,6,7-tetrahydropurine.

Molecular Properties

• Compound Name: 1-methylbenzimidazole;2-methyl-3H-1,2-benzothiazole;3-methyl-2H-1,3-benzoxazole;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;3-methyl-2,4-dihydro-1H-phthalazine;6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;2-methyl-1,3-dihydropyrrolo[3,4-c]pyridine;1-methyl-3,4-dihydro-2H-quinazoline;3-methyl-2,4-dihydro-1H-quinazoline;4-methyl-2,3-dihydro-1H-quinoxaline;1-methylindole;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-c]pyridine;1-methyl-2,3,6,7-tetrahydropurine
• PubChem CID: 157428149
• Molecular Formula: C135H164N28OS
• Molecular Weight: 2227.06 g/mol
• Exact Mass: 2225.34
• IUPAC Name: 1-methylbenzimidazole;2-methyl-3H-1,2-benzothiazole;3-methyl-2H-1,3-benzoxazole;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;3-methyl-2,4-dihydro-1H-phthalazine;6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;2-methyl-1,3-dihydropyrrolo[3,4-c]pyridine;1-methyl-3,4-dihydro-2H-quinazoline;3-methyl-2,4-dihydro-1H-quinazoline;4-methyl-2,3-dihydro-1H-quinoxaline;1-methylindole;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-c]pyridine;1-methyl-2,3,6,7-tetrahydropurine
• SMILES: CN1CCNc2ccccc21.CN1CCc2ccccc21.CN1CCc2ccccc2C1.CN1CNCc2ccccc21.CN1CNc2ccccc2C1.CN1CNc2nc[nH]c2C1.CN1COc2ccccc21.CN1Cc2ccccc2C1.CN1Cc2ccccc2CN1.CN1Cc2ccccc2S1.CN1Cc2cccnc2C1.CN1Cc2ccncc2C1.Cn1ccc2ccccc21.Cn1ccc2cccnc21.Cn1ccc2cnccc21.Cn1cnc2ccccc21
• InChI: InChI=1S/C10H13N.4C9H12N2.2C9H11N.C9H9N.C8H8N2.C8H10N2.C8H8N2.C8H10N2.C8H8N2.C8H9NO.C8H9NS.C6H10N4/c1-11-7-6-9-4-2-3-5-10(9)8-11;1-11-6-8-4-2-3-5-9(8)10-7-11;1-11-7-10-6-8-4-2-3-5-9(8)11;1-11-7-9-5-3-2-4-8(9)6-10-11;1-11-7-6-10-8-4-2-3-5-9(8)11;1-10-6-8-4-2-3-5-9(8)7-10;2*1-10-7-6-8-4-2-3-5-9(8)10;1-10-5-3-7-6-9-4-2-8(7)10;1-10-5-7-2-3-9-4-8(7)6-10;1-10-6-4-7-3-2-5-9-8(7)10;1-10-5-7-3-2-4-9-8(7)6-10;1-10-6-9-7-4-2-3-5-8(7)10;1-9-6-10-8-5-3-2-4-7(8)9;1-9-6-7-4-2-3-5-8(7)10-9;1-10-2-5-6(9-4-10)8-3-7-5/h2-5H,6-8H2,1H3;4*2-5,10H,6-7H2,1H3;2*2-5H,6-7H2,1H3;2-7H,1H3;2-6H,1H3;2-4H,5-6H2,1H3;2-6H,1H3;2-4H,5-6H2,1H3;2-6H,1H3;2*2-5H,6H2,1H3;3,9H,2,4H2,1H3,(H,7,8)
• InChIKey: BQFALTQNQITDTK-UHFFFAOYSA-N
• XLogP: 23.14
• TPSA: 221.11 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2227.06
LogP ≤ 5	23.14
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-methylbenzimidazole;2-methyl-3H-1,2-benzothiazole;3-methyl-2H-1,3-benzoxazole;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;3-methyl-2,4-dihydro-1H-phthalazine;6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;2-methyl-1,3-dihydropyrrolo[3,4-c]pyridine;1-methyl-3,4-dihydro-2H-quinazoline;3-methyl-2,4-dihydro-1H-quinazoline;4-methyl-2,3-dihydro-1H-quinoxaline;1-methylindole;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-c]pyridine;1-methyl-2,3,6,7-tetrahydropurine?

The IUPAC name of 1-methylbenzimidazole;2-methyl-3H-1,2-benzothiazole;3-methyl-2H-1,3-benzoxazole;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;3-methyl-2,4-dihydro-1H-phthalazine;6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;2-methyl-1,3-dihydropyrrolo[3,4-c]pyridine;1-methyl-3,4-dihydro-2H-quinazoline;3-methyl-2,4-dihydro-1H-quinazoline;4-methyl-2,3-dihydro-1H-quinoxaline;1-methylindole;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-c]pyridine;1-methyl-2,3,6,7-tetrahydropurine (CID 157428149) is 1-methylbenzimidazole;2-methyl-3H-1,2-benzothiazole;3-methyl-2H-1,3-benzoxazole;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;3-methyl-2,4-dihydro-1H-phthalazine;6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;2-methyl-1,3-dihydropyrrolo[3,4-c]pyridine;1-methyl-3,4-dihydro-2H-quinazoline;3-methyl-2,4-dihydro-1H-quinazoline;4-methyl-2,3-dihydro-1H-quinoxaline;1-methylindole;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-c]pyridine;1-methyl-2,3,6,7-tetrahydropurine.

What is the SMILES notation for 1-methylbenzimidazole;2-methyl-3H-1,2-benzothiazole;3-methyl-2H-1,3-benzoxazole;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;3-methyl-2,4-dihydro-1H-phthalazine;6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;2-methyl-1,3-dihydropyrrolo[3,4-c]pyridine;1-methyl-3,4-dihydro-2H-quinazoline;3-methyl-2,4-dihydro-1H-quinazoline;4-methyl-2,3-dihydro-1H-quinoxaline;1-methylindole;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-c]pyridine;1-methyl-2,3,6,7-tetrahydropurine?

The canonical SMILES for 1-methylbenzimidazole;2-methyl-3H-1,2-benzothiazole;3-methyl-2H-1,3-benzoxazole;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;3-methyl-2,4-dihydro-1H-phthalazine;6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;2-methyl-1,3-dihydropyrrolo[3,4-c]pyridine;1-methyl-3,4-dihydro-2H-quinazoline;3-methyl-2,4-dihydro-1H-quinazoline;4-methyl-2,3-dihydro-1H-quinoxaline;1-methylindole;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-c]pyridine;1-methyl-2,3,6,7-tetrahydropurine is CN1CCNc2ccccc21.CN1CCc2ccccc21.CN1CCc2ccccc2C1.CN1CNCc2ccccc21.CN1CNc2ccccc2C1.CN1CNc2nc[nH]c2C1.CN1COc2ccccc21.CN1Cc2ccccc2C1.CN1Cc2ccccc2CN1.CN1Cc2ccccc2S1.CN1Cc2cccnc2C1.CN1Cc2ccncc2C1.Cn1ccc2ccccc21.Cn1ccc2cccnc21.Cn1ccc2cnccc21.Cn1cnc2ccccc21.

What is the InChIKey of 1-methylbenzimidazole;2-methyl-3H-1,2-benzothiazole;3-methyl-2H-1,3-benzoxazole;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;3-methyl-2,4-dihydro-1H-phthalazine;6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;2-methyl-1,3-dihydropyrrolo[3,4-c]pyridine;1-methyl-3,4-dihydro-2H-quinazoline;3-methyl-2,4-dihydro-1H-quinazoline;4-methyl-2,3-dihydro-1H-quinoxaline;1-methylindole;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-c]pyridine;1-methyl-2,3,6,7-tetrahydropurine?

The InChIKey is BQFALTQNQITDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.4C9H12N2.2C9H11N.C9H9N.C8H8N2.C8H10N2.C8H8N2.C8H10N2.C8H8N2.C8H9NO.C8H9NS.C6H10N4/c1-11-7-6-9-4-2-3-5-10(9)8-11;1-11-6-8-4-2-3-5-9(8)10-7-11;1-11-7-10-6-8-4-2-3-5-9(8)11;1-11-7-9-5-3-2-4-8(9)6-10-11;1-11-7-6-10-8-4-2-3-5-9(8)11;1-10-6-8-4-2-3-5-9(8)7-10;2*1-10-7-6-8-4-2-3-5-9(8)10;1-10-5-3-7-6-9-4-2-8(7)10;1-10-5-7-2-3-9-4-8(7)6-10;1-10-6-4-7-3-2-5-9-8(7)10;1-10-5-7-3-2-4-9-8(7)6-10;1-10-6-9-7-4-2-3-5-8(7)10;1-9-6-10-8-5-3-2-4-7(8)9;1-9-6-7-4-2-3-5-8(7)10-9;1-10-2-5-6(9-4-10)8-3-7-5/h2-5H,6-8H2,1H3;4*2-5,10H,6-7H2,1H3;2*2-5H,6-7H2,1H3;2-7H,1H3;2-6H,1H3;2-4H,5-6H2,1H3;2-6H,1H3;2-4H,5-6H2,1H3;2-6H,1H3;2*2-5H,6H2,1H3;3,9H,2,4H2,1H3,(H,7,8).

What are the key properties of 1-methylbenzimidazole;2-methyl-3H-1,2-benzothiazole;3-methyl-2H-1,3-benzoxazole;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;3-methyl-2,4-dihydro-1H-phthalazine;6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;2-methyl-1,3-dihydropyrrolo[3,4-c]pyridine;1-methyl-3,4-dihydro-2H-quinazoline;3-methyl-2,4-dihydro-1H-quinazoline;4-methyl-2,3-dihydro-1H-quinoxaline;1-methylindole;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-c]pyridine;1-methyl-2,3,6,7-tetrahydropurine?

1-methylbenzimidazole;2-methyl-3H-1,2-benzothiazole;3-methyl-2H-1,3-benzoxazole;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;3-methyl-2,4-dihydro-1H-phthalazine;6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;2-methyl-1,3-dihydropyrrolo[3,4-c]pyridine;1-methyl-3,4-dihydro-2H-quinazoline;3-methyl-2,4-dihydro-1H-quinazoline;4-methyl-2,3-dihydro-1H-quinoxaline;1-methylindole;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-c]pyridine;1-methyl-2,3,6,7-tetrahydropurine has a molecular weight of 2227.06 g/mol, XLogP of 23.14, 0 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methylbenzimidazole;2-methyl-3H-1,2-benzothiazole;3-methyl-2H-1,3-benzoxazole;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;3-methyl-2,4-dihydro-1H-phthalazine;6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;2-methyl-1,3-dihydropyrrolo[3,4-c]pyridine;1-methyl-3,4-dihydro-2H-quinazoline;3-methyl-2,4-dihydro-1H-quinazoline;4-methyl-2,3-dihydro-1H-quinoxaline;1-methylindole;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[3,2-c]pyridine;1-methyl-2,3,6,7-tetrahydropurine is sourced from PubChem (CID 157428149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).