3-(2,2-dimethylpropyl)-1-benzofuran;6-(2-methylpropyl)-1H-benzimidazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1-benzofuran;6-(2-methylpropyl)-1,4-dihydro-3,1-benzoxazin-2-one;6-(2-methylpropyl)-3,4-dihydro-1,3-benzoxazin-2-one;5-(2-methylpropyl)-1,3-dihydroindol-2-one;6-(2-methylpropyl)-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide;6-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;5-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-indole;5-(2-methylpropyl)-1H-indole;6-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline

C156H200N12O12S — CID 158133580

About 3-(2,2-dimethylpropyl)-1-benzofuran;6-(2-methylpropyl)-1H-benzimidazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1-benzofuran;6-(2-methylpropyl)-1,4-dihydro-3,1-benzoxazin-2-one;6-(2-methylpropyl)-3,4-dihydro-1,3-benzoxazin-2-one;5-(2-methylpropyl)-1,3-dihydroindol-2-one;6-(2-methylpropyl)-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide;6-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;5-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-indole;5-(2-methylpropyl)-1H-indole;6-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline

3-(2,2-dimethylpropyl)-1-benzofuran;6-(2-methylpropyl)-1H-benzimidazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1-benzofuran;6-(2-methylpropyl)-1,4-dihydro-3,1-benzoxazin-2-one;6-(2-methylpropyl)-3,4-dihydro-1,3-benzoxazin-2-one;5-(2-methylpropyl)-1,3-dihydroindol-2-one;6-(2-methylpropyl)-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide;6-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;5-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-indole;5-(2-methylpropyl)-1H-indole;6-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 158133580) has the molecular formula C156H200N12O12S and a molecular weight of 2467.45 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-1-benzofuran;6-(2-methylpropyl)-1H-benzimidazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1-benzofuran;6-(2-methylpropyl)-1,4-dihydro-3,1-benzoxazin-2-one;6-(2-methylpropyl)-3,4-dihydro-1,3-benzoxazin-2-one;5-(2-methylpropyl)-1,3-dihydroindol-2-one;6-(2-methylpropyl)-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide;6-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;5-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-indole;5-(2-methylpropyl)-1H-indole;6-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

• Compound Name: 3-(2,2-dimethylpropyl)-1-benzofuran;6-(2-methylpropyl)-1H-benzimidazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1-benzofuran;6-(2-methylpropyl)-1,4-dihydro-3,1-benzoxazin-2-one;6-(2-methylpropyl)-3,4-dihydro-1,3-benzoxazin-2-one;5-(2-methylpropyl)-1,3-dihydroindol-2-one;6-(2-methylpropyl)-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide;6-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;5-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-indole;5-(2-methylpropyl)-1H-indole;6-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline
• PubChem CID: 158133580
• Molecular Formula: C156H200N12O12S
• Molecular Weight: 2467.45 g/mol
• Exact Mass: 2465.51
• IUPAC Name: 3-(2,2-dimethylpropyl)-1-benzofuran;6-(2-methylpropyl)-1H-benzimidazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1-benzofuran;6-(2-methylpropyl)-1,4-dihydro-3,1-benzoxazin-2-one;6-(2-methylpropyl)-3,4-dihydro-1,3-benzoxazin-2-one;5-(2-methylpropyl)-1,3-dihydroindol-2-one;6-(2-methylpropyl)-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide;6-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;5-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-indole;5-(2-methylpropyl)-1H-indole;6-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline
• SMILES: CC(C)(C)Cc1coc2ccccc12.CC(C)Cc1c[nH]c2ccccc12.CC(C)Cc1ccc2[nH]ccc2c1.CC(C)Cc1ccc2[nH]ncc2c1.CC(C)Cc1ccc2c(c1)CC(=O)N2.CC(C)Cc1ccc2c(c1)CCC(=O)N2.CC(C)Cc1ccc2c(c1)CCCN2.CC(C)Cc1ccc2c(c1)CCNS2(=O)=O.CC(C)Cc1ccc2c(c1)CNC(=O)O2.CC(C)Cc1ccc2c(c1)COC(=O)N2.CC(C)Cc1ccc2c(c1)OCO2.CC(C)Cc1ccc2nc[nH]c2c1.CC(C)Cc1ccc2occc2c1
• InChI: InChI=1S/C13H17NO.C13H19N.C13H16O.C12H17NO2S.2C12H15NO2.C12H15NO.2C12H15N.C12H14O.2C11H14N2.C11H14O2/c1-9(2)7-10-3-5-12-11(8-10)4-6-13(15)14-12;1-10(2)8-11-5-6-13-12(9-11)4-3-7-14-13;1-13(2,3)8-10-9-14-12-7-5-4-6-11(10)12;1-9(2)7-10-3-4-12-11(8-10)5-6-13-16(12,14)15;1-8(2)5-9-3-4-11-10(6-9)7-15-12(14)13-11;1-8(2)5-9-3-4-11-10(6-9)7-13-12(14)15-11;1-8(2)5-9-3-4-11-10(6-9)7-12(14)13-11;1-9(2)7-10-3-4-12-11(8-10)5-6-13-12;1-9(2)7-10-8-13-12-6-4-3-5-11(10)12;1-9(2)7-10-3-4-12-11(8-10)5-6-13-12;1-8(2)5-9-3-4-11-10(6-9)7-12-13-11;2*1-8(2)5-9-3-4-10-11(6-9)13-7-12-10/h3,5,8-9H,4,6-7H2,1-2H3,(H,14,15);5-6,9-10,14H,3-4,7-8H2,1-2H3;4-7,9H,8H2,1-3H3;3-4,8-9,13H,5-7H2,1-2H3;2*3-4,6,8H,5,7H2,1-2H3,(H,13,14);3-4,6,8H,5,7H2,1-2H3,(H,13,14);2*3-6,8-9,13H,7H2,1-2H3;3-6,8-9H,7H2,1-2H3;2*3-4,6-8H,5H2,1-2H3,(H,12,13);3-4,6,8H,5,7H2,1-2H3
• InChIKey: FTBNBBWBINYATO-UHFFFAOYSA-N
• XLogP: 38.07
• TPSA: 326.74 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 15
• Rotatable Bonds: 25
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2467.45
LogP ≤ 5	38.07
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-1-benzofuran;6-(2-methylpropyl)-1H-benzimidazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1-benzofuran;6-(2-methylpropyl)-1,4-dihydro-3,1-benzoxazin-2-one;6-(2-methylpropyl)-3,4-dihydro-1,3-benzoxazin-2-one;5-(2-methylpropyl)-1,3-dihydroindol-2-one;6-(2-methylpropyl)-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide;6-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;5-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-indole;5-(2-methylpropyl)-1H-indole;6-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline?

The IUPAC name of 3-(2,2-dimethylpropyl)-1-benzofuran;6-(2-methylpropyl)-1H-benzimidazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1-benzofuran;6-(2-methylpropyl)-1,4-dihydro-3,1-benzoxazin-2-one;6-(2-methylpropyl)-3,4-dihydro-1,3-benzoxazin-2-one;5-(2-methylpropyl)-1,3-dihydroindol-2-one;6-(2-methylpropyl)-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide;6-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;5-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-indole;5-(2-methylpropyl)-1H-indole;6-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline (CID 158133580) is 3-(2,2-dimethylpropyl)-1-benzofuran;6-(2-methylpropyl)-1H-benzimidazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1-benzofuran;6-(2-methylpropyl)-1,4-dihydro-3,1-benzoxazin-2-one;6-(2-methylpropyl)-3,4-dihydro-1,3-benzoxazin-2-one;5-(2-methylpropyl)-1,3-dihydroindol-2-one;6-(2-methylpropyl)-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide;6-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;5-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-indole;5-(2-methylpropyl)-1H-indole;6-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline.

What is the SMILES notation for 3-(2,2-dimethylpropyl)-1-benzofuran;6-(2-methylpropyl)-1H-benzimidazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1-benzofuran;6-(2-methylpropyl)-1,4-dihydro-3,1-benzoxazin-2-one;6-(2-methylpropyl)-3,4-dihydro-1,3-benzoxazin-2-one;5-(2-methylpropyl)-1,3-dihydroindol-2-one;6-(2-methylpropyl)-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide;6-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;5-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-indole;5-(2-methylpropyl)-1H-indole;6-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline?

The canonical SMILES for 3-(2,2-dimethylpropyl)-1-benzofuran;6-(2-methylpropyl)-1H-benzimidazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1-benzofuran;6-(2-methylpropyl)-1,4-dihydro-3,1-benzoxazin-2-one;6-(2-methylpropyl)-3,4-dihydro-1,3-benzoxazin-2-one;5-(2-methylpropyl)-1,3-dihydroindol-2-one;6-(2-methylpropyl)-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide;6-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;5-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-indole;5-(2-methylpropyl)-1H-indole;6-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline is CC(C)(C)Cc1coc2ccccc12.CC(C)Cc1c[nH]c2ccccc12.CC(C)Cc1ccc2[nH]ccc2c1.CC(C)Cc1ccc2[nH]ncc2c1.CC(C)Cc1ccc2c(c1)CC(=O)N2.CC(C)Cc1ccc2c(c1)CCC(=O)N2.CC(C)Cc1ccc2c(c1)CCCN2.CC(C)Cc1ccc2c(c1)CCNS2(=O)=O.CC(C)Cc1ccc2c(c1)CNC(=O)O2.CC(C)Cc1ccc2c(c1)COC(=O)N2.CC(C)Cc1ccc2c(c1)OCO2.CC(C)Cc1ccc2nc[nH]c2c1.CC(C)Cc1ccc2occc2c1.

What is the InChIKey of 3-(2,2-dimethylpropyl)-1-benzofuran;6-(2-methylpropyl)-1H-benzimidazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1-benzofuran;6-(2-methylpropyl)-1,4-dihydro-3,1-benzoxazin-2-one;6-(2-methylpropyl)-3,4-dihydro-1,3-benzoxazin-2-one;5-(2-methylpropyl)-1,3-dihydroindol-2-one;6-(2-methylpropyl)-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide;6-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;5-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-indole;5-(2-methylpropyl)-1H-indole;6-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline?

The InChIKey is FTBNBBWBINYATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C13H19N.C13H16O.C12H17NO2S.2C12H15NO2.C12H15NO.2C12H15N.C12H14O.2C11H14N2.C11H14O2/c1-9(2)7-10-3-5-12-11(8-10)4-6-13(15)14-12;1-10(2)8-11-5-6-13-12(9-11)4-3-7-14-13;1-13(2,3)8-10-9-14-12-7-5-4-6-11(10)12;1-9(2)7-10-3-4-12-11(8-10)5-6-13-16(12,14)15;1-8(2)5-9-3-4-11-10(6-9)7-15-12(14)13-11;1-8(2)5-9-3-4-11-10(6-9)7-13-12(14)15-11;1-8(2)5-9-3-4-11-10(6-9)7-12(14)13-11;1-9(2)7-10-3-4-12-11(8-10)5-6-13-12;1-9(2)7-10-8-13-12-6-4-3-5-11(10)12;1-9(2)7-10-3-4-12-11(8-10)5-6-13-12;1-8(2)5-9-3-4-11-10(6-9)7-12-13-11;2*1-8(2)5-9-3-4-10-11(6-9)13-7-12-10/h3,5,8-9H,4,6-7H2,1-2H3,(H,14,15);5-6,9-10,14H,3-4,7-8H2,1-2H3;4-7,9H,8H2,1-3H3;3-4,8-9,13H,5-7H2,1-2H3;2*3-4,6,8H,5,7H2,1-2H3,(H,13,14);3-4,6,8H,5,7H2,1-2H3,(H,13,14);2*3-6,8-9,13H,7H2,1-2H3;3-6,8-9H,7H2,1-2H3;2*3-4,6-8H,5H2,1-2H3,(H,12,13);3-4,6,8H,5,7H2,1-2H3.

What are the key properties of 3-(2,2-dimethylpropyl)-1-benzofuran;6-(2-methylpropyl)-1H-benzimidazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1-benzofuran;6-(2-methylpropyl)-1,4-dihydro-3,1-benzoxazin-2-one;6-(2-methylpropyl)-3,4-dihydro-1,3-benzoxazin-2-one;5-(2-methylpropyl)-1,3-dihydroindol-2-one;6-(2-methylpropyl)-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide;6-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;5-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-indole;5-(2-methylpropyl)-1H-indole;6-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline?

3-(2,2-dimethylpropyl)-1-benzofuran;6-(2-methylpropyl)-1H-benzimidazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1-benzofuran;6-(2-methylpropyl)-1,4-dihydro-3,1-benzoxazin-2-one;6-(2-methylpropyl)-3,4-dihydro-1,3-benzoxazin-2-one;5-(2-methylpropyl)-1,3-dihydroindol-2-one;6-(2-methylpropyl)-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide;6-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;5-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-indole;5-(2-methylpropyl)-1H-indole;6-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 2467.45 g/mol, XLogP of 38.07, 25 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,2-dimethylpropyl)-1-benzofuran;6-(2-methylpropyl)-1H-benzimidazole;5-(2-methylpropyl)-1,3-benzodioxole;5-(2-methylpropyl)-1-benzofuran;6-(2-methylpropyl)-1,4-dihydro-3,1-benzoxazin-2-one;6-(2-methylpropyl)-3,4-dihydro-1,3-benzoxazin-2-one;5-(2-methylpropyl)-1,3-dihydroindol-2-one;6-(2-methylpropyl)-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide;6-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;5-(2-methylpropyl)-1H-indazole;3-(2-methylpropyl)-1H-indole;5-(2-methylpropyl)-1H-indole;6-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 158133580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).