2-chloro-6-methyl-1H-indole;3-chloro-6-methyl-1H-indole;1-chloro-4-(4-methylphenyl)benzene;1,2-dichloro-4-(4-methylphenyl)benzene;2,5-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophen-6-ol;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,3-dimethyl-1H-indol-6-ol;2,6-dimethylquinoline;ethyl N-(3-methylbenzenecarboximidoyl)carbamate;1-isocyano-4-methylbenzene;N-(3-methylbenzenecarboximidoyl)benzamide;2-methyl-3H-benzimidazol-5-ol;3-methylbenzonitrile;2-methyl-1,3-benzothiazole;6-methylisoquinoline;N-(4-methylphenyl)acetamide;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine

C198H192Cl5N19O8S4 — CID 158793057

About 2-chloro-6-methyl-1H-indole;3-chloro-6-methyl-1H-indole;1-chloro-4-(4-methylphenyl)benzene;1,2-dichloro-4-(4-methylphenyl)benzene;2,5-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophen-6-ol;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,3-dimethyl-1H-indol-6-ol;2,6-dimethylquinoline;ethyl N-(3-methylbenzenecarboximidoyl)carbamate;1-isocyano-4-methylbenzene;N-(3-methylbenzenecarboximidoyl)benzamide;2-methyl-3H-benzimidazol-5-ol;3-methylbenzonitrile;2-methyl-1,3-benzothiazole;6-methylisoquinoline;N-(4-methylphenyl)acetamide;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine

2-chloro-6-methyl-1H-indole;3-chloro-6-methyl-1H-indole;1-chloro-4-(4-methylphenyl)benzene;1,2-dichloro-4-(4-methylphenyl)benzene;2,5-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophen-6-ol;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,3-dimethyl-1H-indol-6-ol;2,6-dimethylquinoline;ethyl N-(3-methylbenzenecarboximidoyl)carbamate;1-isocyano-4-methylbenzene;N-(3-methylbenzenecarboximidoyl)benzamide;2-methyl-3H-benzimidazol-5-ol;3-methylbenzonitrile;2-methyl-1,3-benzothiazole;6-methylisoquinoline;N-(4-methylphenyl)acetamide;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine (PubChem CID 158793057) has the molecular formula C198H192Cl5N19O8S4 and a molecular weight of 3271.37 g/mol. Its IUPAC name is 2-chloro-6-methyl-1H-indole;3-chloro-6-methyl-1H-indole;1-chloro-4-(4-methylphenyl)benzene;1,2-dichloro-4-(4-methylphenyl)benzene;2,5-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophen-6-ol;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,3-dimethyl-1H-indol-6-ol;2,6-dimethylquinoline;ethyl N-(3-methylbenzenecarboximidoyl)carbamate;1-isocyano-4-methylbenzene;N-(3-methylbenzenecarboximidoyl)benzamide;2-methyl-3H-benzimidazol-5-ol;3-methylbenzonitrile;2-methyl-1,3-benzothiazole;6-methylisoquinoline;N-(4-methylphenyl)acetamide;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine.

Molecular Properties

• Compound Name: 2-chloro-6-methyl-1H-indole;3-chloro-6-methyl-1H-indole;1-chloro-4-(4-methylphenyl)benzene;1,2-dichloro-4-(4-methylphenyl)benzene;2,5-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophen-6-ol;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,3-dimethyl-1H-indol-6-ol;2,6-dimethylquinoline;ethyl N-(3-methylbenzenecarboximidoyl)carbamate;1-isocyano-4-methylbenzene;N-(3-methylbenzenecarboximidoyl)benzamide;2-methyl-3H-benzimidazol-5-ol;3-methylbenzonitrile;2-methyl-1,3-benzothiazole;6-methylisoquinoline;N-(4-methylphenyl)acetamide;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine
• PubChem CID: 158793057
• Molecular Formula: C198H192Cl5N19O8S4
• Molecular Weight: 3271.37 g/mol
• Exact Mass: 3266.25
• IUPAC Name: 2-chloro-6-methyl-1H-indole;3-chloro-6-methyl-1H-indole;1-chloro-4-(4-methylphenyl)benzene;1,2-dichloro-4-(4-methylphenyl)benzene;2,5-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophen-6-ol;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,3-dimethyl-1H-indol-6-ol;2,6-dimethylquinoline;ethyl N-(3-methylbenzenecarboximidoyl)carbamate;1-isocyano-4-methylbenzene;N-(3-methylbenzenecarboximidoyl)benzamide;2-methyl-3H-benzimidazol-5-ol;3-methylbenzonitrile;2-methyl-1,3-benzothiazole;6-methylisoquinoline;N-(4-methylphenyl)acetamide;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine
• SMILES: CC(=O)Nc1ccc(C)cc1.Cc1[nH]c2cc(O)ccc2c1C.Cc1cc2cccnc2s1.Cc1cc2ncccc2s1.Cc1ccc(-c2ccc(Cl)c(Cl)c2)cc1.Cc1ccc(-c2ccc(Cl)cc2)cc1.Cc1ccc2[nH]c(C)cc2c1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2cc(Cl)[nH]c2c1.Cc1ccc2cnccc2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2oc(C)cc2c1.Cc1cccc(C#N)c1.Cc1nc2ccc(O)cc2[nH]1.Cc1nc2ccccc2s1.Cc1sc2cc(O)ccc2c1C.[C-]#[N+]c1ccc(C)cc1.[H]/N=C(\NC(=O)OCC)c1cccc(C)c1.[H]/N=C(\NC(=O)c1ccccc1)c1cccc(C)c1
• InChI: InChI=1S/C15H14N2O.C13H10Cl2.C13H11Cl.C11H14N2O2.C11H11N.C10H11NO.2C10H11N.C10H9N.C10H10OS.C10H10O.2C9H8ClN.C9H11NO.C8H8N2O.3C8H7NS.2C8H7N/c1-11-6-5-9-13(10-11)14(16)17-15(18)12-7-3-2-4-8-12;1-9-2-4-10(5-3-9)11-6-7-12(14)13(15)8-11;1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;1-3-15-11(14)13-10(12)9-6-4-5-8(2)7-9;1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-6-7(2)11-10-5-8(12)3-4-9(6)10;1-7-3-4-10-9(5-7)6-8(2)11-10;1-7-3-4-9-8(2)6-11-10(9)5-7;1-8-2-3-10-7-11-5-4-9(10)6-8;1-6-7(2)12-10-5-8(11)3-4-9(6)10;1-7-3-4-10-9(5-7)6-8(2)11-10;1-6-2-3-7-8(10)5-11-9(7)4-6;1-6-2-3-7-5-9(10)11-8(7)4-6;1-7-3-5-9(6-4-7)10-8(2)11;1-5-9-7-3-2-6(11)4-8(7)10-5;1-6-5-7-8(10-6)3-2-4-9-7;1-6-5-7-3-2-4-9-8(7)10-6;1-6-9-7-4-2-3-5-8(7)10-6;1-7-3-5-8(9-2)6-4-7;1-7-3-2-4-8(5-7)6-9/h2-10H,1H3,(H2,16,17,18);2-8H,1H3;2-9H,1H3;4-7H,3H2,1-2H3,(H2,12,13,14);3-7H,1-2H3;3-5,11-12H,1-2H3;2*3-6,11H,1-2H3;2-7H,1H3;3-5,11H,1-2H3;3-6H,1-2H3;2*2-5,11H,1H3;3-6H,1-2H3,(H,10,11);2-4,11H,1H3,(H,9,10);3*2-5H,1H3;3-6H,1H3;2-5H,1H3
• InChIKey: ISNCMUSNNOZASR-UHFFFAOYSA-N
• XLogP: 55.85
• TPSA: 418.29 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 21
• Rotatable Bonds: 7
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3271.37
LogP ≤ 5	55.85
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-1H-indole;3-chloro-6-methyl-1H-indole;1-chloro-4-(4-methylphenyl)benzene;1,2-dichloro-4-(4-methylphenyl)benzene;2,5-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophen-6-ol;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,3-dimethyl-1H-indol-6-ol;2,6-dimethylquinoline;ethyl N-(3-methylbenzenecarboximidoyl)carbamate;1-isocyano-4-methylbenzene;N-(3-methylbenzenecarboximidoyl)benzamide;2-methyl-3H-benzimidazol-5-ol;3-methylbenzonitrile;2-methyl-1,3-benzothiazole;6-methylisoquinoline;N-(4-methylphenyl)acetamide;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine?

The IUPAC name of 2-chloro-6-methyl-1H-indole;3-chloro-6-methyl-1H-indole;1-chloro-4-(4-methylphenyl)benzene;1,2-dichloro-4-(4-methylphenyl)benzene;2,5-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophen-6-ol;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,3-dimethyl-1H-indol-6-ol;2,6-dimethylquinoline;ethyl N-(3-methylbenzenecarboximidoyl)carbamate;1-isocyano-4-methylbenzene;N-(3-methylbenzenecarboximidoyl)benzamide;2-methyl-3H-benzimidazol-5-ol;3-methylbenzonitrile;2-methyl-1,3-benzothiazole;6-methylisoquinoline;N-(4-methylphenyl)acetamide;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine (CID 158793057) is 2-chloro-6-methyl-1H-indole;3-chloro-6-methyl-1H-indole;1-chloro-4-(4-methylphenyl)benzene;1,2-dichloro-4-(4-methylphenyl)benzene;2,5-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophen-6-ol;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,3-dimethyl-1H-indol-6-ol;2,6-dimethylquinoline;ethyl N-(3-methylbenzenecarboximidoyl)carbamate;1-isocyano-4-methylbenzene;N-(3-methylbenzenecarboximidoyl)benzamide;2-methyl-3H-benzimidazol-5-ol;3-methylbenzonitrile;2-methyl-1,3-benzothiazole;6-methylisoquinoline;N-(4-methylphenyl)acetamide;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine.

What is the SMILES notation for 2-chloro-6-methyl-1H-indole;3-chloro-6-methyl-1H-indole;1-chloro-4-(4-methylphenyl)benzene;1,2-dichloro-4-(4-methylphenyl)benzene;2,5-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophen-6-ol;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,3-dimethyl-1H-indol-6-ol;2,6-dimethylquinoline;ethyl N-(3-methylbenzenecarboximidoyl)carbamate;1-isocyano-4-methylbenzene;N-(3-methylbenzenecarboximidoyl)benzamide;2-methyl-3H-benzimidazol-5-ol;3-methylbenzonitrile;2-methyl-1,3-benzothiazole;6-methylisoquinoline;N-(4-methylphenyl)acetamide;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine?

The canonical SMILES for 2-chloro-6-methyl-1H-indole;3-chloro-6-methyl-1H-indole;1-chloro-4-(4-methylphenyl)benzene;1,2-dichloro-4-(4-methylphenyl)benzene;2,5-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophen-6-ol;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,3-dimethyl-1H-indol-6-ol;2,6-dimethylquinoline;ethyl N-(3-methylbenzenecarboximidoyl)carbamate;1-isocyano-4-methylbenzene;N-(3-methylbenzenecarboximidoyl)benzamide;2-methyl-3H-benzimidazol-5-ol;3-methylbenzonitrile;2-methyl-1,3-benzothiazole;6-methylisoquinoline;N-(4-methylphenyl)acetamide;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine is CC(=O)Nc1ccc(C)cc1.Cc1[nH]c2cc(O)ccc2c1C.Cc1cc2cccnc2s1.Cc1cc2ncccc2s1.Cc1ccc(-c2ccc(Cl)c(Cl)c2)cc1.Cc1ccc(-c2ccc(Cl)cc2)cc1.Cc1ccc2[nH]c(C)cc2c1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2cc(Cl)[nH]c2c1.Cc1ccc2cnccc2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2oc(C)cc2c1.Cc1cccc(C#N)c1.Cc1nc2ccc(O)cc2[nH]1.Cc1nc2ccccc2s1.Cc1sc2cc(O)ccc2c1C.[C-]#[N+]c1ccc(C)cc1.[H]/N=C(\NC(=O)OCC)c1cccc(C)c1.[H]/N=C(\NC(=O)c1ccccc1)c1cccc(C)c1.

What is the InChIKey of 2-chloro-6-methyl-1H-indole;3-chloro-6-methyl-1H-indole;1-chloro-4-(4-methylphenyl)benzene;1,2-dichloro-4-(4-methylphenyl)benzene;2,5-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophen-6-ol;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,3-dimethyl-1H-indol-6-ol;2,6-dimethylquinoline;ethyl N-(3-methylbenzenecarboximidoyl)carbamate;1-isocyano-4-methylbenzene;N-(3-methylbenzenecarboximidoyl)benzamide;2-methyl-3H-benzimidazol-5-ol;3-methylbenzonitrile;2-methyl-1,3-benzothiazole;6-methylisoquinoline;N-(4-methylphenyl)acetamide;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine?

The InChIKey is ISNCMUSNNOZASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O.C13H10Cl2.C13H11Cl.C11H14N2O2.C11H11N.C10H11NO.2C10H11N.C10H9N.C10H10OS.C10H10O.2C9H8ClN.C9H11NO.C8H8N2O.3C8H7NS.2C8H7N/c1-11-6-5-9-13(10-11)14(16)17-15(18)12-7-3-2-4-8-12;1-9-2-4-10(5-3-9)11-6-7-12(14)13(15)8-11;1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;1-3-15-11(14)13-10(12)9-6-4-5-8(2)7-9;1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-6-7(2)11-10-5-8(12)3-4-9(6)10;1-7-3-4-10-9(5-7)6-8(2)11-10;1-7-3-4-9-8(2)6-11-10(9)5-7;1-8-2-3-10-7-11-5-4-9(10)6-8;1-6-7(2)12-10-5-8(11)3-4-9(6)10;1-7-3-4-10-9(5-7)6-8(2)11-10;1-6-2-3-7-8(10)5-11-9(7)4-6;1-6-2-3-7-5-9(10)11-8(7)4-6;1-7-3-5-9(6-4-7)10-8(2)11;1-5-9-7-3-2-6(11)4-8(7)10-5;1-6-5-7-8(10-6)3-2-4-9-7;1-6-5-7-3-2-4-9-8(7)10-6;1-6-9-7-4-2-3-5-8(7)10-6;1-7-3-5-8(9-2)6-4-7;1-7-3-2-4-8(5-7)6-9/h2-10H,1H3,(H2,16,17,18);2-8H,1H3;2-9H,1H3;4-7H,3H2,1-2H3,(H2,12,13,14);3-7H,1-2H3;3-5,11-12H,1-2H3;2*3-6,11H,1-2H3;2-7H,1H3;3-5,11H,1-2H3;3-6H,1-2H3;2*2-5,11H,1H3;3-6H,1-2H3,(H,10,11);2-4,11H,1H3,(H,9,10);3*2-5H,1H3;3-6H,1H3;2-5H,1H3.

What are the key properties of 2-chloro-6-methyl-1H-indole;3-chloro-6-methyl-1H-indole;1-chloro-4-(4-methylphenyl)benzene;1,2-dichloro-4-(4-methylphenyl)benzene;2,5-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophen-6-ol;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,3-dimethyl-1H-indol-6-ol;2,6-dimethylquinoline;ethyl N-(3-methylbenzenecarboximidoyl)carbamate;1-isocyano-4-methylbenzene;N-(3-methylbenzenecarboximidoyl)benzamide;2-methyl-3H-benzimidazol-5-ol;3-methylbenzonitrile;2-methyl-1,3-benzothiazole;6-methylisoquinoline;N-(4-methylphenyl)acetamide;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine?

2-chloro-6-methyl-1H-indole;3-chloro-6-methyl-1H-indole;1-chloro-4-(4-methylphenyl)benzene;1,2-dichloro-4-(4-methylphenyl)benzene;2,5-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophen-6-ol;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,3-dimethyl-1H-indol-6-ol;2,6-dimethylquinoline;ethyl N-(3-methylbenzenecarboximidoyl)carbamate;1-isocyano-4-methylbenzene;N-(3-methylbenzenecarboximidoyl)benzamide;2-methyl-3H-benzimidazol-5-ol;3-methylbenzonitrile;2-methyl-1,3-benzothiazole;6-methylisoquinoline;N-(4-methylphenyl)acetamide;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine has a molecular weight of 3271.37 g/mol, XLogP of 55.85, 7 rotatable bonds, 14 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-methyl-1H-indole;3-chloro-6-methyl-1H-indole;1-chloro-4-(4-methylphenyl)benzene;1,2-dichloro-4-(4-methylphenyl)benzene;2,5-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophen-6-ol;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,3-dimethyl-1H-indol-6-ol;2,6-dimethylquinoline;ethyl N-(3-methylbenzenecarboximidoyl)carbamate;1-isocyano-4-methylbenzene;N-(3-methylbenzenecarboximidoyl)benzamide;2-methyl-3H-benzimidazol-5-ol;3-methylbenzonitrile;2-methyl-1,3-benzothiazole;6-methylisoquinoline;N-(4-methylphenyl)acetamide;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine is sourced from PubChem (CID 158793057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).