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

C126H176N14O6S2 — CID 158590928

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

ethane;1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;3-methylimidazo[1,2-a]pyridine;5-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-indole;3-methyl-1H-indole;7-methyl-9H-pyridazino[1,2-a]pyridazin-6-one;3-methyl-1H-quinolin-2-one (PubChem CID 158590928) has the molecular formula C126H176N14O6S2 and a molecular weight of 2047.02 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;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;3-methylimidazo[1,2-a]pyridine;5-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-indole;3-methyl-1H-indole;7-methyl-9H-pyridazino[1,2-a]pyridazin-6-one;3-methyl-1H-quinolin-2-one.

Molecular Properties

• Compound Name: ethane;1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;3-methylimidazo[1,2-a]pyridine;5-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-indole;3-methyl-1H-indole;7-methyl-9H-pyridazino[1,2-a]pyridazin-6-one;3-methyl-1H-quinolin-2-one
• PubChem CID: 158590928
• Molecular Formula: C126H176N14O6S2
• Molecular Weight: 2047.02 g/mol
• Exact Mass: 2045.33
• IUPAC Name: ethane;1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;3-methylimidazo[1,2-a]pyridine;5-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-indole;3-methyl-1H-indole;7-methyl-9H-pyridazino[1,2-a]pyridazin-6-one;3-methyl-1H-quinolin-2-one
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CCN2C=CC=CN2C1=O.CC1CCc2ccccc21.Cc1c[nH]c2ccccc12.Cc1cc2ccccc2[nH]1.Cc1cc2ccccc2[nH]c1=O.Cc1ccc2c(c1)CCO2.Cc1ccc2c(c1)OCO2.Cc1ccc2ncsc2c1.Cc1cnc2ccccn12.Cc1cnc2sccn12.Cn1c(=O)[nH]c2ccccc21.Cn1cnc2ccccc21
• InChI: InChI=1S/C10H9NO.C10H12.C9H10N2O.2C9H9N.C9H10O.C8H8N2O.2C8H8N2.C8H7NS.C8H8O2.C6H6N2S.12C2H6/c1-7-6-8-4-2-3-5-9(8)11-10(7)12;1-8-6-7-9-4-2-3-5-10(8)9;1-8-4-7-10-5-2-3-6-11(10)9(8)12;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-7-2-3-9-8(6-7)4-5-10-9;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;12*1-2/h2-6H,1H3,(H,11,12);2-5,8H,6-7H2,1H3;2-6H,7H2,1H3;2*2-6,10H,1H3;2-3,6H,4-5H2,1H3;2-5H,1H3,(H,9,11);2*2-6H,1H3;2-5H,1H3;2-4H,5H2,1H3;2-4H,1H3;12*1-2H3
• InChIKey: HUKXLEFHEQHYAX-UHFFFAOYSA-N
• XLogP: 34.92
• TPSA: 218.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2047.02
LogP ≤ 5	34.92
H-Bond Donors ≤ 5	4
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;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;3-methylimidazo[1,2-a]pyridine;5-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-indole;3-methyl-1H-indole;7-methyl-9H-pyridazino[1,2-a]pyridazin-6-one;3-methyl-1H-quinolin-2-one?

The IUPAC name of ethane;1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;3-methylimidazo[1,2-a]pyridine;5-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-indole;3-methyl-1H-indole;7-methyl-9H-pyridazino[1,2-a]pyridazin-6-one;3-methyl-1H-quinolin-2-one (CID 158590928) is ethane;1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;3-methylimidazo[1,2-a]pyridine;5-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-indole;3-methyl-1H-indole;7-methyl-9H-pyridazino[1,2-a]pyridazin-6-one;3-methyl-1H-quinolin-2-one.

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;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;3-methylimidazo[1,2-a]pyridine;5-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-indole;3-methyl-1H-indole;7-methyl-9H-pyridazino[1,2-a]pyridazin-6-one;3-methyl-1H-quinolin-2-one?

The canonical SMILES for ethane;1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;3-methylimidazo[1,2-a]pyridine;5-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-indole;3-methyl-1H-indole;7-methyl-9H-pyridazino[1,2-a]pyridazin-6-one;3-methyl-1H-quinolin-2-one is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CCN2C=CC=CN2C1=O.CC1CCc2ccccc21.Cc1c[nH]c2ccccc12.Cc1cc2ccccc2[nH]1.Cc1cc2ccccc2[nH]c1=O.Cc1ccc2c(c1)CCO2.Cc1ccc2c(c1)OCO2.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;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;3-methylimidazo[1,2-a]pyridine;5-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-indole;3-methyl-1H-indole;7-methyl-9H-pyridazino[1,2-a]pyridazin-6-one;3-methyl-1H-quinolin-2-one?

The InChIKey is HUKXLEFHEQHYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO.C10H12.C9H10N2O.2C9H9N.C9H10O.C8H8N2O.2C8H8N2.C8H7NS.C8H8O2.C6H6N2S.12C2H6/c1-7-6-8-4-2-3-5-9(8)11-10(7)12;1-8-6-7-9-4-2-3-5-10(8)9;1-8-4-7-10-5-2-3-6-11(10)9(8)12;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-7-2-3-9-8(6-7)4-5-10-9;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;12*1-2/h2-6H,1H3,(H,11,12);2-5,8H,6-7H2,1H3;2-6H,7H2,1H3;2*2-6,10H,1H3;2-3,6H,4-5H2,1H3;2-5H,1H3,(H,9,11);2*2-6H,1H3;2-5H,1H3;2-4H,5H2,1H3;2-4H,1H3;12*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;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;3-methylimidazo[1,2-a]pyridine;5-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-indole;3-methyl-1H-indole;7-methyl-9H-pyridazino[1,2-a]pyridazin-6-one;3-methyl-1H-quinolin-2-one?

ethane;1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;3-methylimidazo[1,2-a]pyridine;5-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-indole;3-methyl-1H-indole;7-methyl-9H-pyridazino[1,2-a]pyridazin-6-one;3-methyl-1H-quinolin-2-one has a molecular weight of 2047.02 g/mol, XLogP of 34.92, 0 rotatable bonds, 4 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;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;3-methylimidazo[1,2-a]pyridine;5-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-indole;3-methyl-1H-indole;7-methyl-9H-pyridazino[1,2-a]pyridazin-6-one;3-methyl-1H-quinolin-2-one is sourced from PubChem (CID 158590928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).