1-methylbenzimidazole;3-methyl-2H-1,3-benzothiazole;3-methyl-2H-1,3-benzoxazole;1-methyl-2,4-dihydro-3,1-benzothiazine;1-methyl-2,4-dihydro-3,1-benzoxazine;4-methyl-2,3-dihydro-1,4-benzoxazine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;1-methyl-3,4-dihydro-2H-quinoline;1-methylindole

C88H103N11O3S2 — CID 159497188

About 1-methylbenzimidazole;3-methyl-2H-1,3-benzothiazole;3-methyl-2H-1,3-benzoxazole;1-methyl-2,4-dihydro-3,1-benzothiazine;1-methyl-2,4-dihydro-3,1-benzoxazine;4-methyl-2,3-dihydro-1,4-benzoxazine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;1-methyl-3,4-dihydro-2H-quinoline;1-methylindole

1-methylbenzimidazole;3-methyl-2H-1,3-benzothiazole;3-methyl-2H-1,3-benzoxazole;1-methyl-2,4-dihydro-3,1-benzothiazine;1-methyl-2,4-dihydro-3,1-benzoxazine;4-methyl-2,3-dihydro-1,4-benzoxazine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;1-methyl-3,4-dihydro-2H-quinoline;1-methylindole (PubChem CID 159497188) has the molecular formula C88H103N11O3S2 and a molecular weight of 1427.00 g/mol. Its IUPAC name is 1-methylbenzimidazole;3-methyl-2H-1,3-benzothiazole;3-methyl-2H-1,3-benzoxazole;1-methyl-2,4-dihydro-3,1-benzothiazine;1-methyl-2,4-dihydro-3,1-benzoxazine;4-methyl-2,3-dihydro-1,4-benzoxazine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;1-methyl-3,4-dihydro-2H-quinoline;1-methylindole.

Molecular Properties

• Compound Name: 1-methylbenzimidazole;3-methyl-2H-1,3-benzothiazole;3-methyl-2H-1,3-benzoxazole;1-methyl-2,4-dihydro-3,1-benzothiazine;1-methyl-2,4-dihydro-3,1-benzoxazine;4-methyl-2,3-dihydro-1,4-benzoxazine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;1-methyl-3,4-dihydro-2H-quinoline;1-methylindole
• PubChem CID: 159497188
• Molecular Formula: C88H103N11O3S2
• Molecular Weight: 1427.00 g/mol
• Exact Mass: 1425.77
• IUPAC Name: 1-methylbenzimidazole;3-methyl-2H-1,3-benzothiazole;3-methyl-2H-1,3-benzoxazole;1-methyl-2,4-dihydro-3,1-benzothiazine;1-methyl-2,4-dihydro-3,1-benzoxazine;4-methyl-2,3-dihydro-1,4-benzoxazine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;1-methyl-3,4-dihydro-2H-quinoline;1-methylindole
• SMILES: CN1CCCc2ccccc21.CN1CCOc2ccccc21.CN1CCc2ccccc21.CN1COCc2ccccc21.CN1COc2ccccc21.CN1CSCc2ccccc21.CN1CSc2ccccc21.CN1Cc2ccccc2C1.Cn1ccc2ccccc21.Cn1cnc2ccccc21
• InChI: InChI=1S/C10H13N.2C9H11NO.C9H11NS.2C9H11N.C9H9N.C8H8N2.C8H9NO.C8H9NS/c1-11-8-4-6-9-5-2-3-7-10(9)11;1-10-7-11-6-8-4-2-3-5-9(8)10;1-10-6-7-11-9-5-3-2-4-8(9)10;1-10-7-11-6-8-4-2-3-5-9(8)10;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;1-10-6-9-7-4-2-3-5-8(7)10;2*1-9-6-10-8-5-3-2-4-7(8)9/h2-3,5,7H,4,6,8H2,1H3;3*2-5H,6-7H2,1H3;2*2-5H,6-7H2,1H3;2-7H,1H3;2-6H,1H3;2*2-5H,6H2,1H3
• InChIKey: LYXWLHFMZSQIQQ-UHFFFAOYSA-N
• XLogP: 18.24
• TPSA: 76.36 Ų
• H-Bond Acceptors: 16
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1427.00
LogP ≤ 5	18.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1-methylbenzimidazole;3-methyl-2H-1,3-benzothiazole;3-methyl-2H-1,3-benzoxazole;1-methyl-2,4-dihydro-3,1-benzothiazine;1-methyl-2,4-dihydro-3,1-benzoxazine;4-methyl-2,3-dihydro-1,4-benzoxazine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;1-methyl-3,4-dihydro-2H-quinoline;1-methylindole?

The IUPAC name of 1-methylbenzimidazole;3-methyl-2H-1,3-benzothiazole;3-methyl-2H-1,3-benzoxazole;1-methyl-2,4-dihydro-3,1-benzothiazine;1-methyl-2,4-dihydro-3,1-benzoxazine;4-methyl-2,3-dihydro-1,4-benzoxazine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;1-methyl-3,4-dihydro-2H-quinoline;1-methylindole (CID 159497188) is 1-methylbenzimidazole;3-methyl-2H-1,3-benzothiazole;3-methyl-2H-1,3-benzoxazole;1-methyl-2,4-dihydro-3,1-benzothiazine;1-methyl-2,4-dihydro-3,1-benzoxazine;4-methyl-2,3-dihydro-1,4-benzoxazine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;1-methyl-3,4-dihydro-2H-quinoline;1-methylindole.

What is the SMILES notation for 1-methylbenzimidazole;3-methyl-2H-1,3-benzothiazole;3-methyl-2H-1,3-benzoxazole;1-methyl-2,4-dihydro-3,1-benzothiazine;1-methyl-2,4-dihydro-3,1-benzoxazine;4-methyl-2,3-dihydro-1,4-benzoxazine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;1-methyl-3,4-dihydro-2H-quinoline;1-methylindole?

The canonical SMILES for 1-methylbenzimidazole;3-methyl-2H-1,3-benzothiazole;3-methyl-2H-1,3-benzoxazole;1-methyl-2,4-dihydro-3,1-benzothiazine;1-methyl-2,4-dihydro-3,1-benzoxazine;4-methyl-2,3-dihydro-1,4-benzoxazine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;1-methyl-3,4-dihydro-2H-quinoline;1-methylindole is CN1CCCc2ccccc21.CN1CCOc2ccccc21.CN1CCc2ccccc21.CN1COCc2ccccc21.CN1COc2ccccc21.CN1CSCc2ccccc21.CN1CSc2ccccc21.CN1Cc2ccccc2C1.Cn1ccc2ccccc21.Cn1cnc2ccccc21.

What is the InChIKey of 1-methylbenzimidazole;3-methyl-2H-1,3-benzothiazole;3-methyl-2H-1,3-benzoxazole;1-methyl-2,4-dihydro-3,1-benzothiazine;1-methyl-2,4-dihydro-3,1-benzoxazine;4-methyl-2,3-dihydro-1,4-benzoxazine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;1-methyl-3,4-dihydro-2H-quinoline;1-methylindole?

The InChIKey is LYXWLHFMZSQIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.2C9H11NO.C9H11NS.2C9H11N.C9H9N.C8H8N2.C8H9NO.C8H9NS/c1-11-8-4-6-9-5-2-3-7-10(9)11;1-10-7-11-6-8-4-2-3-5-9(8)10;1-10-6-7-11-9-5-3-2-4-8(9)10;1-10-7-11-6-8-4-2-3-5-9(8)10;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;1-10-6-9-7-4-2-3-5-8(7)10;2*1-9-6-10-8-5-3-2-4-7(8)9/h2-3,5,7H,4,6,8H2,1H3;3*2-5H,6-7H2,1H3;2*2-5H,6-7H2,1H3;2-7H,1H3;2-6H,1H3;2*2-5H,6H2,1H3.

What are the key properties of 1-methylbenzimidazole;3-methyl-2H-1,3-benzothiazole;3-methyl-2H-1,3-benzoxazole;1-methyl-2,4-dihydro-3,1-benzothiazine;1-methyl-2,4-dihydro-3,1-benzoxazine;4-methyl-2,3-dihydro-1,4-benzoxazine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;1-methyl-3,4-dihydro-2H-quinoline;1-methylindole?

1-methylbenzimidazole;3-methyl-2H-1,3-benzothiazole;3-methyl-2H-1,3-benzoxazole;1-methyl-2,4-dihydro-3,1-benzothiazine;1-methyl-2,4-dihydro-3,1-benzoxazine;4-methyl-2,3-dihydro-1,4-benzoxazine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;1-methyl-3,4-dihydro-2H-quinoline;1-methylindole has a molecular weight of 1427.00 g/mol, XLogP of 18.24, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methylbenzimidazole;3-methyl-2H-1,3-benzothiazole;3-methyl-2H-1,3-benzoxazole;1-methyl-2,4-dihydro-3,1-benzothiazine;1-methyl-2,4-dihydro-3,1-benzoxazine;4-methyl-2,3-dihydro-1,4-benzoxazine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;1-methyl-3,4-dihydro-2H-quinoline;1-methylindole is sourced from PubChem (CID 159497188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).