6-methyl-1H-benzimidazole;5-methyl-2H-benzotriazole;6-methyl-4H-1,4-benzoxazin-3-one;5-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;6-methyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;6-methyl-1,3-dihydroindol-2-one;5-methyl-1,3-dihydro-2λ6,1,3-benzothiadiazole 2,2-dioxide;7-methyl-3,4-dihydro-1H-quinolin-2-one;6-methyl-1H-indazole;7-methyl-1H-4,2λ6,1-benzoxathiazine 2,2-dioxide;7-methyl-1H-quinolin-2-one

C100H102N18O15S3 — CID 159260820

About 6-methyl-1H-benzimidazole;5-methyl-2H-benzotriazole;6-methyl-4H-1,4-benzoxazin-3-one;5-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;6-methyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;6-methyl-1,3-dihydroindol-2-one;5-methyl-1,3-dihydro-2λ6,1,3-benzothiadiazole 2,2-dioxide;7-methyl-3,4-dihydro-1H-quinolin-2-one;6-methyl-1H-indazole;7-methyl-1H-4,2λ6,1-benzoxathiazine 2,2-dioxide;7-methyl-1H-quinolin-2-one

6-methyl-1H-benzimidazole;5-methyl-2H-benzotriazole;6-methyl-4H-1,4-benzoxazin-3-one;5-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;6-methyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;6-methyl-1,3-dihydroindol-2-one;5-methyl-1,3-dihydro-2λ6,1,3-benzothiadiazole 2,2-dioxide;7-methyl-3,4-dihydro-1H-quinolin-2-one;6-methyl-1H-indazole;7-methyl-1H-4,2λ6,1-benzoxathiazine 2,2-dioxide;7-methyl-1H-quinolin-2-one (PubChem CID 159260820) has the molecular formula C100H102N18O15S3 and a molecular weight of 1892.23 g/mol. Its IUPAC name is 6-methyl-1H-benzimidazole;5-methyl-2H-benzotriazole;6-methyl-4H-1,4-benzoxazin-3-one;5-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;6-methyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;6-methyl-1,3-dihydroindol-2-one;5-methyl-1,3-dihydro-2λ6,1,3-benzothiadiazole 2,2-dioxide;7-methyl-3,4-dihydro-1H-quinolin-2-one;6-methyl-1H-indazole;7-methyl-1H-4,2λ6,1-benzoxathiazine 2,2-dioxide;7-methyl-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 6-methyl-1H-benzimidazole;5-methyl-2H-benzotriazole;6-methyl-4H-1,4-benzoxazin-3-one;5-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;6-methyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;6-methyl-1,3-dihydroindol-2-one;5-methyl-1,3-dihydro-2λ6,1,3-benzothiadiazole 2,2-dioxide;7-methyl-3,4-dihydro-1H-quinolin-2-one;6-methyl-1H-indazole;7-methyl-1H-4,2λ6,1-benzoxathiazine 2,2-dioxide;7-methyl-1H-quinolin-2-one
• PubChem CID: 159260820
• Molecular Formula: C100H102N18O15S3
• Molecular Weight: 1892.23 g/mol
• Exact Mass: 1890.69
• IUPAC Name: 6-methyl-1H-benzimidazole;5-methyl-2H-benzotriazole;6-methyl-4H-1,4-benzoxazin-3-one;5-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;6-methyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;6-methyl-1,3-dihydroindol-2-one;5-methyl-1,3-dihydro-2λ6,1,3-benzothiadiazole 2,2-dioxide;7-methyl-3,4-dihydro-1H-quinolin-2-one;6-methyl-1H-indazole;7-methyl-1H-4,2λ6,1-benzoxathiazine 2,2-dioxide;7-methyl-1H-quinolin-2-one
• SMILES: Cc1ccc2[nH]c(=O)[nH]c2c1.Cc1ccc2c(c1)NC(=O)C2.Cc1ccc2c(c1)NC(=O)CC2.Cc1ccc2c(c1)NC(=O)CO2.Cc1ccc2c(c1)NS(=O)(=O)C2.Cc1ccc2c(c1)NS(=O)(=O)CO2.Cc1ccc2c(c1)NS(=O)(=O)N2.Cc1ccc2ccc(=O)[nH]c2c1.Cc1ccc2cn[nH]c2c1.Cc1ccc2n[nH]nc2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2oc(=O)[nH]c2c1
• InChI: InChI=1S/C10H11NO.C10H9NO.C9H9NO2.C9H9NO.C8H8N2O.2C8H8N2.C8H9NO3S.C8H9NO2S.C8H7NO2.C7H7N3.C7H8N2O2S/c2*1-7-2-3-8-4-5-10(12)11-9(8)6-7;1-6-2-3-8-7(4-6)10-9(11)5-12-8;1-6-2-3-7-5-9(11)10-8(7)4-6;1-5-2-3-6-7(4-5)10-8(11)9-6;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;1-6-2-3-8-7(4-6)9-13(10,11)5-12-8;1-6-2-3-7-5-12(10,11)9-8(7)4-6;1-5-2-3-7-6(4-5)9-8(10)11-7;1-5-2-3-6-7(4-5)9-10-8-6;1-5-2-3-6-7(4-5)9-12(10,11)8-6/h2-3,6H,4-5H2,1H3,(H,11,12);2-6H,1H3,(H,11,12);2-4H,5H2,1H3,(H,10,11);2-4H,5H2,1H3,(H,10,11);2-4H,1H3,(H2,9,10,11);2*2-5H,1H3,(H,9,10);2-4,9H,5H2,1H3;2-4,9H,5H2,1H3;2-4H,1H3,(H,9,10);2-4H,1H3,(H,8,9,10);2-4,8-9H,1H3
• InChIKey: KWMFYBABDXQIQA-UHFFFAOYSA-N
• XLogP: 17.55
• TPSA: 482.74 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 19
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1892.23
LogP ≤ 5	17.55
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulfonamide_E(2)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1H-benzimidazole;5-methyl-2H-benzotriazole;6-methyl-4H-1,4-benzoxazin-3-one;5-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;6-methyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;6-methyl-1,3-dihydroindol-2-one;5-methyl-1,3-dihydro-2λ6,1,3-benzothiadiazole 2,2-dioxide;7-methyl-3,4-dihydro-1H-quinolin-2-one;6-methyl-1H-indazole;7-methyl-1H-4,2λ6,1-benzoxathiazine 2,2-dioxide;7-methyl-1H-quinolin-2-one?

The IUPAC name of 6-methyl-1H-benzimidazole;5-methyl-2H-benzotriazole;6-methyl-4H-1,4-benzoxazin-3-one;5-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;6-methyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;6-methyl-1,3-dihydroindol-2-one;5-methyl-1,3-dihydro-2λ6,1,3-benzothiadiazole 2,2-dioxide;7-methyl-3,4-dihydro-1H-quinolin-2-one;6-methyl-1H-indazole;7-methyl-1H-4,2λ6,1-benzoxathiazine 2,2-dioxide;7-methyl-1H-quinolin-2-one (CID 159260820) is 6-methyl-1H-benzimidazole;5-methyl-2H-benzotriazole;6-methyl-4H-1,4-benzoxazin-3-one;5-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;6-methyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;6-methyl-1,3-dihydroindol-2-one;5-methyl-1,3-dihydro-2λ6,1,3-benzothiadiazole 2,2-dioxide;7-methyl-3,4-dihydro-1H-quinolin-2-one;6-methyl-1H-indazole;7-methyl-1H-4,2λ6,1-benzoxathiazine 2,2-dioxide;7-methyl-1H-quinolin-2-one.

What is the SMILES notation for 6-methyl-1H-benzimidazole;5-methyl-2H-benzotriazole;6-methyl-4H-1,4-benzoxazin-3-one;5-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;6-methyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;6-methyl-1,3-dihydroindol-2-one;5-methyl-1,3-dihydro-2λ6,1,3-benzothiadiazole 2,2-dioxide;7-methyl-3,4-dihydro-1H-quinolin-2-one;6-methyl-1H-indazole;7-methyl-1H-4,2λ6,1-benzoxathiazine 2,2-dioxide;7-methyl-1H-quinolin-2-one?

The canonical SMILES for 6-methyl-1H-benzimidazole;5-methyl-2H-benzotriazole;6-methyl-4H-1,4-benzoxazin-3-one;5-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;6-methyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;6-methyl-1,3-dihydroindol-2-one;5-methyl-1,3-dihydro-2λ6,1,3-benzothiadiazole 2,2-dioxide;7-methyl-3,4-dihydro-1H-quinolin-2-one;6-methyl-1H-indazole;7-methyl-1H-4,2λ6,1-benzoxathiazine 2,2-dioxide;7-methyl-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)[nH]c2c1.Cc1ccc2c(c1)NC(=O)C2.Cc1ccc2c(c1)NC(=O)CC2.Cc1ccc2c(c1)NC(=O)CO2.Cc1ccc2c(c1)NS(=O)(=O)C2.Cc1ccc2c(c1)NS(=O)(=O)CO2.Cc1ccc2c(c1)NS(=O)(=O)N2.Cc1ccc2ccc(=O)[nH]c2c1.Cc1ccc2cn[nH]c2c1.Cc1ccc2n[nH]nc2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2oc(=O)[nH]c2c1.

What is the InChIKey of 6-methyl-1H-benzimidazole;5-methyl-2H-benzotriazole;6-methyl-4H-1,4-benzoxazin-3-one;5-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;6-methyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;6-methyl-1,3-dihydroindol-2-one;5-methyl-1,3-dihydro-2λ6,1,3-benzothiadiazole 2,2-dioxide;7-methyl-3,4-dihydro-1H-quinolin-2-one;6-methyl-1H-indazole;7-methyl-1H-4,2λ6,1-benzoxathiazine 2,2-dioxide;7-methyl-1H-quinolin-2-one?

The InChIKey is KWMFYBABDXQIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.C10H9NO.C9H9NO2.C9H9NO.C8H8N2O.2C8H8N2.C8H9NO3S.C8H9NO2S.C8H7NO2.C7H7N3.C7H8N2O2S/c2*1-7-2-3-8-4-5-10(12)11-9(8)6-7;1-6-2-3-8-7(4-6)10-9(11)5-12-8;1-6-2-3-7-5-9(11)10-8(7)4-6;1-5-2-3-6-7(4-5)10-8(11)9-6;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;1-6-2-3-8-7(4-6)9-13(10,11)5-12-8;1-6-2-3-7-5-12(10,11)9-8(7)4-6;1-5-2-3-7-6(4-5)9-8(10)11-7;1-5-2-3-6-7(4-5)9-10-8-6;1-5-2-3-6-7(4-5)9-12(10,11)8-6/h2-3,6H,4-5H2,1H3,(H,11,12);2-6H,1H3,(H,11,12);2-4H,5H2,1H3,(H,10,11);2-4H,5H2,1H3,(H,10,11);2-4H,1H3,(H2,9,10,11);2*2-5H,1H3,(H,9,10);2-4,9H,5H2,1H3;2-4,9H,5H2,1H3;2-4H,1H3,(H,9,10);2-4H,1H3,(H,8,9,10);2-4,8-9H,1H3.

What are the key properties of 6-methyl-1H-benzimidazole;5-methyl-2H-benzotriazole;6-methyl-4H-1,4-benzoxazin-3-one;5-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;6-methyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;6-methyl-1,3-dihydroindol-2-one;5-methyl-1,3-dihydro-2λ6,1,3-benzothiadiazole 2,2-dioxide;7-methyl-3,4-dihydro-1H-quinolin-2-one;6-methyl-1H-indazole;7-methyl-1H-4,2λ6,1-benzoxathiazine 2,2-dioxide;7-methyl-1H-quinolin-2-one?

6-methyl-1H-benzimidazole;5-methyl-2H-benzotriazole;6-methyl-4H-1,4-benzoxazin-3-one;5-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;6-methyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;6-methyl-1,3-dihydroindol-2-one;5-methyl-1,3-dihydro-2λ6,1,3-benzothiadiazole 2,2-dioxide;7-methyl-3,4-dihydro-1H-quinolin-2-one;6-methyl-1H-indazole;7-methyl-1H-4,2λ6,1-benzoxathiazine 2,2-dioxide;7-methyl-1H-quinolin-2-one has a molecular weight of 1892.23 g/mol, XLogP of 17.55, 0 rotatable bonds, 14 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-1H-benzimidazole;5-methyl-2H-benzotriazole;6-methyl-4H-1,4-benzoxazin-3-one;5-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;6-methyl-1,3-dihydro-2,1-benzothiazole 2,2-dioxide;6-methyl-1,3-dihydroindol-2-one;5-methyl-1,3-dihydro-2λ6,1,3-benzothiadiazole 2,2-dioxide;7-methyl-3,4-dihydro-1H-quinolin-2-one;6-methyl-1H-indazole;7-methyl-1H-4,2λ6,1-benzoxathiazine 2,2-dioxide;7-methyl-1H-quinolin-2-one is sourced from PubChem (CID 159260820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).