5-(2,2-dimethylpropyl)-1,3-benzodioxole;7-(2,2-dimethylpropyl)-1-benzothiophene;5-(2,2-dimethylpropyl)-1H-indene;4-(2,2-dimethylpropyl)-1H-indole;6-(2,2-dimethylpropyl)-1H-indole;7-(2,2-dimethylpropyl)-1H-indole;2-(2,2-dimethylpropyl)-1-methylbenzimidazole;4-(2,2-dimethylpropyl)-1-methylindole

C105H138N6O2S — CID 157496255

About 5-(2,2-dimethylpropyl)-1,3-benzodioxole;7-(2,2-dimethylpropyl)-1-benzothiophene;5-(2,2-dimethylpropyl)-1H-indene;4-(2,2-dimethylpropyl)-1H-indole;6-(2,2-dimethylpropyl)-1H-indole;7-(2,2-dimethylpropyl)-1H-indole;2-(2,2-dimethylpropyl)-1-methylbenzimidazole;4-(2,2-dimethylpropyl)-1-methylindole

5-(2,2-dimethylpropyl)-1,3-benzodioxole;7-(2,2-dimethylpropyl)-1-benzothiophene;5-(2,2-dimethylpropyl)-1H-indene;4-(2,2-dimethylpropyl)-1H-indole;6-(2,2-dimethylpropyl)-1H-indole;7-(2,2-dimethylpropyl)-1H-indole;2-(2,2-dimethylpropyl)-1-methylbenzimidazole;4-(2,2-dimethylpropyl)-1-methylindole (PubChem CID 157496255) has the molecular formula C105H138N6O2S and a molecular weight of 1548.37 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-1,3-benzodioxole;7-(2,2-dimethylpropyl)-1-benzothiophene;5-(2,2-dimethylpropyl)-1H-indene;4-(2,2-dimethylpropyl)-1H-indole;6-(2,2-dimethylpropyl)-1H-indole;7-(2,2-dimethylpropyl)-1H-indole;2-(2,2-dimethylpropyl)-1-methylbenzimidazole;4-(2,2-dimethylpropyl)-1-methylindole.

Molecular Properties

• Compound Name: 5-(2,2-dimethylpropyl)-1,3-benzodioxole;7-(2,2-dimethylpropyl)-1-benzothiophene;5-(2,2-dimethylpropyl)-1H-indene;4-(2,2-dimethylpropyl)-1H-indole;6-(2,2-dimethylpropyl)-1H-indole;7-(2,2-dimethylpropyl)-1H-indole;2-(2,2-dimethylpropyl)-1-methylbenzimidazole;4-(2,2-dimethylpropyl)-1-methylindole
• PubChem CID: 157496255
• Molecular Formula: C105H138N6O2S
• Molecular Weight: 1548.37 g/mol
• Exact Mass: 1547.06
• IUPAC Name: 5-(2,2-dimethylpropyl)-1,3-benzodioxole;7-(2,2-dimethylpropyl)-1-benzothiophene;5-(2,2-dimethylpropyl)-1H-indene;4-(2,2-dimethylpropyl)-1H-indole;6-(2,2-dimethylpropyl)-1H-indole;7-(2,2-dimethylpropyl)-1H-indole;2-(2,2-dimethylpropyl)-1-methylbenzimidazole;4-(2,2-dimethylpropyl)-1-methylindole
• SMILES: CC(C)(C)Cc1ccc2c(c1)C=CC2.CC(C)(C)Cc1ccc2c(c1)OCO2.CC(C)(C)Cc1ccc2cc[nH]c2c1.CC(C)(C)Cc1cccc2[nH]ccc12.CC(C)(C)Cc1cccc2cc[nH]c12.CC(C)(C)Cc1cccc2ccsc12.Cn1c(CC(C)(C)C)nc2ccccc21.Cn1ccc2c(CC(C)(C)C)cccc21
• InChI: InChI=1S/C14H19N.C14H18.C13H18N2.3C13H17N.C13H16S.C12H16O2/c1-14(2,3)10-11-6-5-7-13-12(11)8-9-15(13)4;1-14(2,3)10-11-7-8-12-5-4-6-13(12)9-11;1-13(2,3)9-12-14-10-7-5-6-8-11(10)15(12)4;1-13(2,3)9-10-4-5-11-6-7-14-12(11)8-10;1-13(2,3)9-10-5-4-6-12-11(10)7-8-14-12;2*1-13(2,3)9-11-6-4-5-10-7-8-14-12(10)11;1-12(2,3)7-9-4-5-10-11(6-9)14-8-13-10/h5-9H,10H2,1-4H3;4,6-9H,5,10H2,1-3H3;5-8H,9H2,1-4H3;3*4-8,14H,9H2,1-3H3;4-8H,9H2,1-3H3;4-6H,7-8H2,1-3H3
• InChIKey: BXWDQZKTIBWQJT-UHFFFAOYSA-N
• XLogP: 29.54
• TPSA: 88.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1548.37
LogP ≤ 5	29.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-1,3-benzodioxole;7-(2,2-dimethylpropyl)-1-benzothiophene;5-(2,2-dimethylpropyl)-1H-indene;4-(2,2-dimethylpropyl)-1H-indole;6-(2,2-dimethylpropyl)-1H-indole;7-(2,2-dimethylpropyl)-1H-indole;2-(2,2-dimethylpropyl)-1-methylbenzimidazole;4-(2,2-dimethylpropyl)-1-methylindole?

The IUPAC name of 5-(2,2-dimethylpropyl)-1,3-benzodioxole;7-(2,2-dimethylpropyl)-1-benzothiophene;5-(2,2-dimethylpropyl)-1H-indene;4-(2,2-dimethylpropyl)-1H-indole;6-(2,2-dimethylpropyl)-1H-indole;7-(2,2-dimethylpropyl)-1H-indole;2-(2,2-dimethylpropyl)-1-methylbenzimidazole;4-(2,2-dimethylpropyl)-1-methylindole (CID 157496255) is 5-(2,2-dimethylpropyl)-1,3-benzodioxole;7-(2,2-dimethylpropyl)-1-benzothiophene;5-(2,2-dimethylpropyl)-1H-indene;4-(2,2-dimethylpropyl)-1H-indole;6-(2,2-dimethylpropyl)-1H-indole;7-(2,2-dimethylpropyl)-1H-indole;2-(2,2-dimethylpropyl)-1-methylbenzimidazole;4-(2,2-dimethylpropyl)-1-methylindole.

What is the SMILES notation for 5-(2,2-dimethylpropyl)-1,3-benzodioxole;7-(2,2-dimethylpropyl)-1-benzothiophene;5-(2,2-dimethylpropyl)-1H-indene;4-(2,2-dimethylpropyl)-1H-indole;6-(2,2-dimethylpropyl)-1H-indole;7-(2,2-dimethylpropyl)-1H-indole;2-(2,2-dimethylpropyl)-1-methylbenzimidazole;4-(2,2-dimethylpropyl)-1-methylindole?

The canonical SMILES for 5-(2,2-dimethylpropyl)-1,3-benzodioxole;7-(2,2-dimethylpropyl)-1-benzothiophene;5-(2,2-dimethylpropyl)-1H-indene;4-(2,2-dimethylpropyl)-1H-indole;6-(2,2-dimethylpropyl)-1H-indole;7-(2,2-dimethylpropyl)-1H-indole;2-(2,2-dimethylpropyl)-1-methylbenzimidazole;4-(2,2-dimethylpropyl)-1-methylindole is CC(C)(C)Cc1ccc2c(c1)C=CC2.CC(C)(C)Cc1ccc2c(c1)OCO2.CC(C)(C)Cc1ccc2cc[nH]c2c1.CC(C)(C)Cc1cccc2[nH]ccc12.CC(C)(C)Cc1cccc2cc[nH]c12.CC(C)(C)Cc1cccc2ccsc12.Cn1c(CC(C)(C)C)nc2ccccc21.Cn1ccc2c(CC(C)(C)C)cccc21.

What is the InChIKey of 5-(2,2-dimethylpropyl)-1,3-benzodioxole;7-(2,2-dimethylpropyl)-1-benzothiophene;5-(2,2-dimethylpropyl)-1H-indene;4-(2,2-dimethylpropyl)-1H-indole;6-(2,2-dimethylpropyl)-1H-indole;7-(2,2-dimethylpropyl)-1H-indole;2-(2,2-dimethylpropyl)-1-methylbenzimidazole;4-(2,2-dimethylpropyl)-1-methylindole?

The InChIKey is BXWDQZKTIBWQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N.C14H18.C13H18N2.3C13H17N.C13H16S.C12H16O2/c1-14(2,3)10-11-6-5-7-13-12(11)8-9-15(13)4;1-14(2,3)10-11-7-8-12-5-4-6-13(12)9-11;1-13(2,3)9-12-14-10-7-5-6-8-11(10)15(12)4;1-13(2,3)9-10-4-5-11-6-7-14-12(11)8-10;1-13(2,3)9-10-5-4-6-12-11(10)7-8-14-12;2*1-13(2,3)9-11-6-4-5-10-7-8-14-12(10)11;1-12(2,3)7-9-4-5-10-11(6-9)14-8-13-10/h5-9H,10H2,1-4H3;4,6-9H,5,10H2,1-3H3;5-8H,9H2,1-4H3;3*4-8,14H,9H2,1-3H3;4-8H,9H2,1-3H3;4-6H,7-8H2,1-3H3.

What are the key properties of 5-(2,2-dimethylpropyl)-1,3-benzodioxole;7-(2,2-dimethylpropyl)-1-benzothiophene;5-(2,2-dimethylpropyl)-1H-indene;4-(2,2-dimethylpropyl)-1H-indole;6-(2,2-dimethylpropyl)-1H-indole;7-(2,2-dimethylpropyl)-1H-indole;2-(2,2-dimethylpropyl)-1-methylbenzimidazole;4-(2,2-dimethylpropyl)-1-methylindole?

5-(2,2-dimethylpropyl)-1,3-benzodioxole;7-(2,2-dimethylpropyl)-1-benzothiophene;5-(2,2-dimethylpropyl)-1H-indene;4-(2,2-dimethylpropyl)-1H-indole;6-(2,2-dimethylpropyl)-1H-indole;7-(2,2-dimethylpropyl)-1H-indole;2-(2,2-dimethylpropyl)-1-methylbenzimidazole;4-(2,2-dimethylpropyl)-1-methylindole has a molecular weight of 1548.37 g/mol, XLogP of 29.54, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,2-dimethylpropyl)-1,3-benzodioxole;7-(2,2-dimethylpropyl)-1-benzothiophene;5-(2,2-dimethylpropyl)-1H-indene;4-(2,2-dimethylpropyl)-1H-indole;6-(2,2-dimethylpropyl)-1H-indole;7-(2,2-dimethylpropyl)-1H-indole;2-(2,2-dimethylpropyl)-1-methylbenzimidazole;4-(2,2-dimethylpropyl)-1-methylindole is sourced from PubChem (CID 157496255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).