ethane;1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylimidazo[1,2-a]pyridine;5-methylimidazo[2,1-b][1,3]thiazole;7-methyl-9H-pyridazino[1,2-a]pyridazin-6-one;6-methylquinoline

C93H129N13O5S2 — CID 159188599

About ethane;1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylimidazo[1,2-a]pyridine;5-methylimidazo[2,1-b][1,3]thiazole;7-methyl-9H-pyridazino[1,2-a]pyridazin-6-one;6-methylquinoline

ethane;1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylimidazo[1,2-a]pyridine;5-methylimidazo[2,1-b][1,3]thiazole;7-methyl-9H-pyridazino[1,2-a]pyridazin-6-one;6-methylquinoline (PubChem CID 159188599) has the molecular formula C93H129N13O5S2 and a molecular weight of 1573.27 g/mol. Its IUPAC name is ethane;1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylimidazo[1,2-a]pyridine;5-methylimidazo[2,1-b][1,3]thiazole;7-methyl-9H-pyridazino[1,2-a]pyridazin-6-one;6-methylquinoline.

Molecular Properties

• Compound Name: ethane;1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylimidazo[1,2-a]pyridine;5-methylimidazo[2,1-b][1,3]thiazole;7-methyl-9H-pyridazino[1,2-a]pyridazin-6-one;6-methylquinoline
• PubChem CID: 159188599
• Molecular Formula: C93H129N13O5S2
• Molecular Weight: 1573.27 g/mol
• Exact Mass: 1571.97
• IUPAC Name: ethane;1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylimidazo[1,2-a]pyridine;5-methylimidazo[2,1-b][1,3]thiazole;7-methyl-9H-pyridazino[1,2-a]pyridazin-6-one;6-methylquinoline
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CCN2C=CC=CN2C1=O.Cc1ccc2c(c1)CCC(=O)N2.Cc1ccc2c(c1)OCO2.Cc1ccc2ncccc2c1.Cc1ccc2ncsc2c1.Cc1cnc2ccccn12.Cc1cnc2sccn12.Cn1c(=O)[nH]c2ccccc21.Cn1cnc2ccccc21
• InChI: InChI=1S/C10H11NO.C10H9N.C9H10N2O.C8H8N2O.2C8H8N2.C8H7NS.C8H8O2.C6H6N2S.9C2H6/c1-7-2-4-9-8(6-7)3-5-10(12)11-9;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-4-7-10-5-2-3-6-11(10)9(8)12;1-10-7-5-3-2-4-6(7)9-8(10)11;1-10-6-9-7-4-2-3-5-8(7)10;1-7-6-9-8-4-2-3-5-10(7)8;2*1-6-2-3-7-8(4-6)10-5-9-7;1-5-4-7-6-8(5)2-3-9-6;9*1-2/h2,4,6H,3,5H2,1H3,(H,11,12);2-7H,1H3;2-6H,7H2,1H3;2-5H,1H3,(H,9,11);2*2-6H,1H3;2-5H,1H3;2-4H,5H2,1H3;2-4H,1H3;9*1-2H3
• InChIKey: KNUJXZPKHISXJF-UHFFFAOYSA-N
• XLogP: 24.81
• TPSA: 187.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1573.27
LogP ≤ 5	24.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of ethane;1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylimidazo[1,2-a]pyridine;5-methylimidazo[2,1-b][1,3]thiazole;7-methyl-9H-pyridazino[1,2-a]pyridazin-6-one;6-methylquinoline?

The IUPAC name of ethane;1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylimidazo[1,2-a]pyridine;5-methylimidazo[2,1-b][1,3]thiazole;7-methyl-9H-pyridazino[1,2-a]pyridazin-6-one;6-methylquinoline (CID 159188599) is ethane;1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylimidazo[1,2-a]pyridine;5-methylimidazo[2,1-b][1,3]thiazole;7-methyl-9H-pyridazino[1,2-a]pyridazin-6-one;6-methylquinoline.

What is the SMILES notation for ethane;1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylimidazo[1,2-a]pyridine;5-methylimidazo[2,1-b][1,3]thiazole;7-methyl-9H-pyridazino[1,2-a]pyridazin-6-one;6-methylquinoline?

The canonical SMILES for ethane;1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylimidazo[1,2-a]pyridine;5-methylimidazo[2,1-b][1,3]thiazole;7-methyl-9H-pyridazino[1,2-a]pyridazin-6-one;6-methylquinoline is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CCN2C=CC=CN2C1=O.Cc1ccc2c(c1)CCC(=O)N2.Cc1ccc2c(c1)OCO2.Cc1ccc2ncccc2c1.Cc1ccc2ncsc2c1.Cc1cnc2ccccn12.Cc1cnc2sccn12.Cn1c(=O)[nH]c2ccccc21.Cn1cnc2ccccc21.

What is the InChIKey of ethane;1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylimidazo[1,2-a]pyridine;5-methylimidazo[2,1-b][1,3]thiazole;7-methyl-9H-pyridazino[1,2-a]pyridazin-6-one;6-methylquinoline?

The InChIKey is KNUJXZPKHISXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.C10H9N.C9H10N2O.C8H8N2O.2C8H8N2.C8H7NS.C8H8O2.C6H6N2S.9C2H6/c1-7-2-4-9-8(6-7)3-5-10(12)11-9;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-4-7-10-5-2-3-6-11(10)9(8)12;1-10-7-5-3-2-4-6(7)9-8(10)11;1-10-6-9-7-4-2-3-5-8(7)10;1-7-6-9-8-4-2-3-5-10(7)8;2*1-6-2-3-7-8(4-6)10-5-9-7;1-5-4-7-6-8(5)2-3-9-6;9*1-2/h2,4,6H,3,5H2,1H3,(H,11,12);2-7H,1H3;2-6H,7H2,1H3;2-5H,1H3,(H,9,11);2*2-6H,1H3;2-5H,1H3;2-4H,5H2,1H3;2-4H,1H3;9*1-2H3.

What are the key properties of ethane;1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylimidazo[1,2-a]pyridine;5-methylimidazo[2,1-b][1,3]thiazole;7-methyl-9H-pyridazino[1,2-a]pyridazin-6-one;6-methylquinoline?

ethane;1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylimidazo[1,2-a]pyridine;5-methylimidazo[2,1-b][1,3]thiazole;7-methyl-9H-pyridazino[1,2-a]pyridazin-6-one;6-methylquinoline has a molecular weight of 1573.27 g/mol, XLogP of 24.81, 0 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylimidazo[1,2-a]pyridine;5-methylimidazo[2,1-b][1,3]thiazole;7-methyl-9H-pyridazino[1,2-a]pyridazin-6-one;6-methylquinoline is sourced from PubChem (CID 159188599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).