5,7-dimethyl-1H-indole;6-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;5-methyl-2H-benzotriazole;5-methyl-1,3-dihydroindol-2-one;6-methylquinoline;6-methyl-1,2,3,4-tetrahydroquinoline;5-methyl-3-(trifluoromethyl)-2H-indazole

C71H72F3N11O3 — CID 160697140

About 5,7-dimethyl-1H-indole;6-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;5-methyl-2H-benzotriazole;5-methyl-1,3-dihydroindol-2-one;6-methylquinoline;6-methyl-1,2,3,4-tetrahydroquinoline;5-methyl-3-(trifluoromethyl)-2H-indazole

5,7-dimethyl-1H-indole;6-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;5-methyl-2H-benzotriazole;5-methyl-1,3-dihydroindol-2-one;6-methylquinoline;6-methyl-1,2,3,4-tetrahydroquinoline;5-methyl-3-(trifluoromethyl)-2H-indazole (PubChem CID 160697140) has the molecular formula C71H72F3N11O3 and a molecular weight of 1184.42 g/mol. Its IUPAC name is 5,7-dimethyl-1H-indole;6-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;5-methyl-2H-benzotriazole;5-methyl-1,3-dihydroindol-2-one;6-methylquinoline;6-methyl-1,2,3,4-tetrahydroquinoline;5-methyl-3-(trifluoromethyl)-2H-indazole.

Molecular Properties

• Compound Name: 5,7-dimethyl-1H-indole;6-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;5-methyl-2H-benzotriazole;5-methyl-1,3-dihydroindol-2-one;6-methylquinoline;6-methyl-1,2,3,4-tetrahydroquinoline;5-methyl-3-(trifluoromethyl)-2H-indazole
• PubChem CID: 160697140
• Molecular Formula: C71H72F3N11O3
• Molecular Weight: 1184.42 g/mol
• Exact Mass: 1183.58
• IUPAC Name: 5,7-dimethyl-1H-indole;6-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;5-methyl-2H-benzotriazole;5-methyl-1,3-dihydroindol-2-one;6-methylquinoline;6-methyl-1,2,3,4-tetrahydroquinoline;5-methyl-3-(trifluoromethyl)-2H-indazole
• SMILES: Cc1cc(C)c2[nH]ccc2c1.Cc1ccc2c(c1)CC(=O)N2.Cc1ccc2c(c1)CCCN2.Cc1ccc2c(c1)OCO2.Cc1ccc2n[nH]c(C(F)(F)F)c2c1.Cc1ccc2n[nH]nc2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2ncccc2c1
• InChI: InChI=1S/C10H11N.C10H13N.C10H9N.C9H7F3N2.C9H9NO.C8H8N2.C8H8O2.C7H7N3/c1-7-5-8(2)10-9(6-7)3-4-11-10;2*1-8-4-5-10-9(7-8)3-2-6-11-10;1-5-2-3-7-6(4-5)8(14-13-7)9(10,11)12;1-6-2-3-8-7(4-6)5-9(11)10-8;2*1-6-2-3-7-8(4-6)10-5-9-7;1-5-2-3-6-7(4-5)9-10-8-6/h3-6,11H,1-2H3;4-5,7,11H,2-3,6H2,1H3;2-7H,1H3;2-4H,1H3,(H,13,14);2-4H,5H2,1H3,(H,10,11);2-5H,1H3,(H,9,10);2-4H,5H2,1H3;2-4H,1H3,(H,8,9,10)
• InChIKey: RQDIWFSJCRUPMG-UHFFFAOYSA-N
• XLogP: 16.92
• TPSA: 187.20 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1184.42
LogP ≤ 5	16.92
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-1H-indole;6-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;5-methyl-2H-benzotriazole;5-methyl-1,3-dihydroindol-2-one;6-methylquinoline;6-methyl-1,2,3,4-tetrahydroquinoline;5-methyl-3-(trifluoromethyl)-2H-indazole?

The IUPAC name of 5,7-dimethyl-1H-indole;6-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;5-methyl-2H-benzotriazole;5-methyl-1,3-dihydroindol-2-one;6-methylquinoline;6-methyl-1,2,3,4-tetrahydroquinoline;5-methyl-3-(trifluoromethyl)-2H-indazole (CID 160697140) is 5,7-dimethyl-1H-indole;6-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;5-methyl-2H-benzotriazole;5-methyl-1,3-dihydroindol-2-one;6-methylquinoline;6-methyl-1,2,3,4-tetrahydroquinoline;5-methyl-3-(trifluoromethyl)-2H-indazole.

What is the SMILES notation for 5,7-dimethyl-1H-indole;6-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;5-methyl-2H-benzotriazole;5-methyl-1,3-dihydroindol-2-one;6-methylquinoline;6-methyl-1,2,3,4-tetrahydroquinoline;5-methyl-3-(trifluoromethyl)-2H-indazole?

The canonical SMILES for 5,7-dimethyl-1H-indole;6-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;5-methyl-2H-benzotriazole;5-methyl-1,3-dihydroindol-2-one;6-methylquinoline;6-methyl-1,2,3,4-tetrahydroquinoline;5-methyl-3-(trifluoromethyl)-2H-indazole is Cc1cc(C)c2[nH]ccc2c1.Cc1ccc2c(c1)CC(=O)N2.Cc1ccc2c(c1)CCCN2.Cc1ccc2c(c1)OCO2.Cc1ccc2n[nH]c(C(F)(F)F)c2c1.Cc1ccc2n[nH]nc2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2ncccc2c1.

What is the InChIKey of 5,7-dimethyl-1H-indole;6-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;5-methyl-2H-benzotriazole;5-methyl-1,3-dihydroindol-2-one;6-methylquinoline;6-methyl-1,2,3,4-tetrahydroquinoline;5-methyl-3-(trifluoromethyl)-2H-indazole?

The InChIKey is RQDIWFSJCRUPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.C10H13N.C10H9N.C9H7F3N2.C9H9NO.C8H8N2.C8H8O2.C7H7N3/c1-7-5-8(2)10-9(6-7)3-4-11-10;2*1-8-4-5-10-9(7-8)3-2-6-11-10;1-5-2-3-7-6(4-5)8(14-13-7)9(10,11)12;1-6-2-3-8-7(4-6)5-9(11)10-8;2*1-6-2-3-7-8(4-6)10-5-9-7;1-5-2-3-6-7(4-5)9-10-8-6/h3-6,11H,1-2H3;4-5,7,11H,2-3,6H2,1H3;2-7H,1H3;2-4H,1H3,(H,13,14);2-4H,5H2,1H3,(H,10,11);2-5H,1H3,(H,9,10);2-4H,5H2,1H3;2-4H,1H3,(H,8,9,10).

What are the key properties of 5,7-dimethyl-1H-indole;6-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;5-methyl-2H-benzotriazole;5-methyl-1,3-dihydroindol-2-one;6-methylquinoline;6-methyl-1,2,3,4-tetrahydroquinoline;5-methyl-3-(trifluoromethyl)-2H-indazole?

5,7-dimethyl-1H-indole;6-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;5-methyl-2H-benzotriazole;5-methyl-1,3-dihydroindol-2-one;6-methylquinoline;6-methyl-1,2,3,4-tetrahydroquinoline;5-methyl-3-(trifluoromethyl)-2H-indazole has a molecular weight of 1184.42 g/mol, XLogP of 16.92, 0 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-dimethyl-1H-indole;6-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;5-methyl-2H-benzotriazole;5-methyl-1,3-dihydroindol-2-one;6-methylquinoline;6-methyl-1,2,3,4-tetrahydroquinoline;5-methyl-3-(trifluoromethyl)-2H-indazole is sourced from PubChem (CID 160697140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).