1-methylbenzimidazole;3-methyl-2H-1,3-benzothiazole;3-methyl-2H-1,3-benzoxazole;1-methyl-2,4-dihydro-3,1-benzothiazine;4-methyl-2,3-dihydro-1,4-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-methyl-2H-quinoline;1-methyl-4H-quinoline

C117H136N14O3S3 — CID 160656944

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

1-methylbenzimidazole;3-methyl-2H-1,3-benzothiazole;3-methyl-2H-1,3-benzoxazole;1-methyl-2,4-dihydro-3,1-benzothiazine;4-methyl-2,3-dihydro-1,4-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-methyl-2H-quinoline;1-methyl-4H-quinoline (PubChem CID 160656944) has the molecular formula C117H136N14O3S3 and a molecular weight of 1882.67 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;4-methyl-2,3-dihydro-1,4-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-methyl-2H-quinoline;1-methyl-4H-quinoline.

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;4-methyl-2,3-dihydro-1,4-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-methyl-2H-quinoline;1-methyl-4H-quinoline
• PubChem CID: 160656944
• Molecular Formula: C117H136N14O3S3
• Molecular Weight: 1882.67 g/mol
• Exact Mass: 1881.01
• IUPAC Name: 1-methylbenzimidazole;3-methyl-2H-1,3-benzothiazole;3-methyl-2H-1,3-benzoxazole;1-methyl-2,4-dihydro-3,1-benzothiazine;4-methyl-2,3-dihydro-1,4-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-methyl-2H-quinoline;1-methyl-4H-quinoline
• SMILES: CN1C=CCc2ccccc21.CN1CC=Cc2ccccc21.CN1CCCc2ccccc21.CN1CCOc2ccccc21.CN1CCSc2ccccc21.CN1CCc2ccccc21.CN1COCc2ccccc21.CN1COc2ccccc21.CN1CSCc2ccccc21.CN1CSc2ccccc21.CN1Cc2ccccc2C1.Cn1ccc2ccccc21.Cn1cnc2ccccc21
• InChI: InChI=1S/C10H13N.2C10H11N.2C9H11NO.2C9H11NS.2C9H11N.C9H9N.C8H8N2.C8H9NO.C8H9NS/c3*1-11-8-4-6-9-5-2-3-7-10(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;1-10-6-7-11-9-5-3-2-4-8(9)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;2-5,7-8H,6H2,1H3;2-7H,8H2,1H3;4*2-5H,6-7H2,1H3;2*2-5H,6-7H2,1H3;2-7H,1H3;2-6H,1H3;2*2-5H,6H2,1H3
• InChIKey: RLEDAESDQWFQPS-UHFFFAOYSA-N
• XLogP: 24.81
• TPSA: 86.08 Ų
• H-Bond Acceptors: 20
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1882.67
LogP ≤ 5	24.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

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;4-methyl-2,3-dihydro-1,4-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-methyl-2H-quinoline;1-methyl-4H-quinoline?

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;4-methyl-2,3-dihydro-1,4-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-methyl-2H-quinoline;1-methyl-4H-quinoline (CID 160656944) is 1-methylbenzimidazole;3-methyl-2H-1,3-benzothiazole;3-methyl-2H-1,3-benzoxazole;1-methyl-2,4-dihydro-3,1-benzothiazine;4-methyl-2,3-dihydro-1,4-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-methyl-2H-quinoline;1-methyl-4H-quinoline.

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;4-methyl-2,3-dihydro-1,4-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-methyl-2H-quinoline;1-methyl-4H-quinoline?

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;4-methyl-2,3-dihydro-1,4-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-methyl-2H-quinoline;1-methyl-4H-quinoline is CN1C=CCc2ccccc21.CN1CC=Cc2ccccc21.CN1CCCc2ccccc21.CN1CCOc2ccccc21.CN1CCSc2ccccc21.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;4-methyl-2,3-dihydro-1,4-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-methyl-2H-quinoline;1-methyl-4H-quinoline?

The InChIKey is RLEDAESDQWFQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.2C10H11N.2C9H11NO.2C9H11NS.2C9H11N.C9H9N.C8H8N2.C8H9NO.C8H9NS/c3*1-11-8-4-6-9-5-2-3-7-10(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;1-10-6-7-11-9-5-3-2-4-8(9)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;2-5,7-8H,6H2,1H3;2-7H,8H2,1H3;4*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;4-methyl-2,3-dihydro-1,4-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-methyl-2H-quinoline;1-methyl-4H-quinoline?

1-methylbenzimidazole;3-methyl-2H-1,3-benzothiazole;3-methyl-2H-1,3-benzoxazole;1-methyl-2,4-dihydro-3,1-benzothiazine;4-methyl-2,3-dihydro-1,4-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-methyl-2H-quinoline;1-methyl-4H-quinoline has a molecular weight of 1882.67 g/mol, XLogP of 24.81, 0 rotatable bonds, 0 hydrogen bond donors, and 20 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;4-methyl-2,3-dihydro-1,4-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-methyl-2H-quinoline;1-methyl-4H-quinoline is sourced from PubChem (CID 160656944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).