ethane;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;5-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;3-methyl-1H-quinolin-2-one

C118H161N11O5S2 — CID 159599162

IUPACethane;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;5-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;3-methyl-1H-quinolin-2-one
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CCc2ccccc21.Cc1c[nH]c2ccccc12.Cc1cc2ccccc2[nH]1.Cc1cc2ccccc2[nH]c1=O.Cc1ccc2c(c1)CCO2.Cc1ccc2c(c1)OCO2.Cc1ccc2cnccc2n1.Cc1ccc2ncsc2c1.Cc1cnc2ccccc2c1.Cc1cnc2sccn12.Cn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C10H9NO.C10H9N.C10H12.C9H8N2.2C9H9N.C9H10O.C8H8N2O.C8H7NS.C8H8O2.C6H6N2S.11C2H6/c1-7-6-8-4-2-3-5-9(8)11-10(7)12;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-9-4-2-3-5-10(8)9;1-7-2-3-8-6-10-5-4-9(8)11-7;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;2*1-6-2-3-7-8(4-6)10-5-9-7;1-5-4-7-6-8(5)2-3-9-6;11*1-2/h2-6H,1H3,(H,11,12);2-7H,1H3;2-5,8H,6-7H2,1H3;2-6H,1H3;2*2-6,10H,1H3;2-3,6H,4-5H2,1H3;2-5H,1H3,(H,9,11);2-5H,1H3;2-4H,5H2,1H3;2-4H,1H3;11*1-2H3
InChIKeyMLFXDOIUUYUPSK-UHFFFAOYSA-N
MW1877.79 g/mol
LogP34.12
Rot. Bonds

About ethane;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;5-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;3-methyl-1H-quinolin-2-one

ethane;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;5-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;3-methyl-1H-quinolin-2-one (PubChem CID 159599162) has the molecular formula C118H161N11O5S2 and a molecular weight of 1877.79 g/mol. Its IUPAC name is ethane;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;5-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;3-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Nameethane;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;5-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;3-methyl-1H-quinolin-2-one
PubChem CID159599162
Molecular FormulaC118H161N11O5S2
Molecular Weight1877.79 g/mol
Exact Mass1876.21
IUPAC Nameethane;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;5-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;3-methyl-1H-quinolin-2-one
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CCc2ccccc21.Cc1c[nH]c2ccccc12.Cc1cc2ccccc2[nH]1.Cc1cc2ccccc2[nH]c1=O.Cc1ccc2c(c1)CCO2.Cc1ccc2c(c1)OCO2.Cc1ccc2cnccc2n1.Cc1ccc2ncsc2c1.Cc1cnc2ccccc2c1.Cc1cnc2sccn12.Cn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C10H9NO.C10H9N.C10H12.C9H8N2.2C9H9N.C9H10O.C8H8N2O.C8H7NS.C8H8O2.C6H6N2S.11C2H6/c1-7-6-8-4-2-3-5-9(8)11-10(7)12;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-9-4-2-3-5-10(8)9;1-7-2-3-8-6-10-5-4-9(8)11-7;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;2*1-6-2-3-7-8(4-6)10-5-9-7;1-5-4-7-6-8(5)2-3-9-6;11*1-2/h2-6H,1H3,(H,11,12);2-7H,1H3;2-5,8H,6-7H2,1H3;2-6H,1H3;2*2-6,10H,1H3;2-3,6H,4-5H2,1H3;2-5H,1H3,(H,9,11);2-5H,1H3;2-4H,5H2,1H3;2-4H,1H3;11*1-2H3
InChIKeyMLFXDOIUUYUPSK-UHFFFAOYSA-N
XLogP34.12
TPSA198.78 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001877.79
LogP ≤ 534.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze ethane;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;5-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;3-methyl-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;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;5-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;3-methyl-1H-quinolin-2-one?
The IUPAC name of ethane;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;5-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;3-methyl-1H-quinolin-2-one (CID 159599162) is ethane;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;5-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;3-methyl-1H-quinolin-2-one.
What is the SMILES notation for ethane;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;5-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;3-methyl-1H-quinolin-2-one?
The canonical SMILES for ethane;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;5-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;3-methyl-1H-quinolin-2-one is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CCc2ccccc21.Cc1c[nH]c2ccccc12.Cc1cc2ccccc2[nH]1.Cc1cc2ccccc2[nH]c1=O.Cc1ccc2c(c1)CCO2.Cc1ccc2c(c1)OCO2.Cc1ccc2cnccc2n1.Cc1ccc2ncsc2c1.Cc1cnc2ccccc2c1.Cc1cnc2sccn12.Cn1c(=O)[nH]c2ccccc21.
What is the InChIKey of ethane;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;5-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;3-methyl-1H-quinolin-2-one?
The InChIKey is MLFXDOIUUYUPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO.C10H9N.C10H12.C9H8N2.2C9H9N.C9H10O.C8H8N2O.C8H7NS.C8H8O2.C6H6N2S.11C2H6/c1-7-6-8-4-2-3-5-9(8)11-10(7)12;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-9-4-2-3-5-10(8)9;1-7-2-3-8-6-10-5-4-9(8)11-7;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;2*1-6-2-3-7-8(4-6)10-5-9-7;1-5-4-7-6-8(5)2-3-9-6;11*1-2/h2-6H,1H3,(H,11,12);2-7H,1H3;2-5,8H,6-7H2,1H3;2-6H,1H3;2*2-6,10H,1H3;2-3,6H,4-5H2,1H3;2-5H,1H3,(H,9,11);2-5H,1H3;2-4H,5H2,1H3;2-4H,1H3;11*1-2H3.
What are the key properties of ethane;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;5-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;3-methyl-1H-quinolin-2-one?
ethane;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;5-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;3-methyl-1H-quinolin-2-one has a molecular weight of 1877.79 g/mol, XLogP of 34.12, 0 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;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;5-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1,6-naphthyridine;3-methylquinoline;3-methyl-1H-quinolin-2-one is sourced from PubChem (CID 159599162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).