4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1H-benzimidazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;bis(7-propan-2-yl-3,4-dihydro-2H-chromene);4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;bis(7-propan-2-yl-1,2,3,4-tetrahydroquinoline)

C113H153N7O6 — CID 167648578

About 4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1H-benzimidazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;bis(7-propan-2-yl-3,4-dihydro-2H-chromene);4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;bis(7-propan-2-yl-1,2,3,4-tetrahydroquinoline)

4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1H-benzimidazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;bis(7-propan-2-yl-3,4-dihydro-2H-chromene);4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;bis(7-propan-2-yl-1,2,3,4-tetrahydroquinoline) (PubChem CID 167648578) has the molecular formula C113H153N7O6 and a molecular weight of 1705.51 g/mol. Its IUPAC name is 4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1H-benzimidazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;bis(7-propan-2-yl-3,4-dihydro-2H-chromene);4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;bis(7-propan-2-yl-1,2,3,4-tetrahydroquinoline).

Molecular Properties

• Compound Name: 4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1H-benzimidazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;bis(7-propan-2-yl-3,4-dihydro-2H-chromene);4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;bis(7-propan-2-yl-1,2,3,4-tetrahydroquinoline)
• PubChem CID: 167648578
• Molecular Formula: C113H153N7O6
• Molecular Weight: 1705.51 g/mol
• Exact Mass: 1704.19
• IUPAC Name: 4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1H-benzimidazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;bis(7-propan-2-yl-3,4-dihydro-2H-chromene);4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;bis(7-propan-2-yl-1,2,3,4-tetrahydroquinoline)
• SMILES: CC(C)c1ccc2c(c1)CCN2.CC(C)c1ccc2c(c1)NCC2.CC(C)c1ccc2c(c1)NCCC2.CC(C)c1ccc2c(c1)NCCC2.CC(C)c1ccc2c(c1)NCN2.CC(C)c1ccc2c(c1)OCCC2.CC(C)c1ccc2c(c1)OCCC2.CC(C)c1ccc2c(c1)OCCCO2.CC(C)c1cccc2c1CCN2.CC(C)c1cccc2c1OCO2
• InChI: InChI=1S/2C12H17N.C12H16O2.2C12H16O.3C11H15N.C10H14N2.C10H12O2/c2*1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)10-4-5-11-12(8-10)14-7-3-6-13-11;2*1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9/h2*5-6,8-9,13H,3-4,7H2,1-2H3;4-5,8-9H,3,6-7H2,1-2H3;2*5-6,8-9H,3-4,7H2,1-2H3;2*3-4,7-8,12H,5-6H2,1-2H3;3-5,8,12H,6-7H2,1-2H3;3-5,7,11-12H,6H2,1-2H3;3-5,7H,6H2,1-2H3
• InChIKey: QFZAGEOBCVLCLR-UHFFFAOYSA-N
• XLogP: 29.06
• TPSA: 139.59 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1705.51
LogP ≤ 5	29.06
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1H-benzimidazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;bis(7-propan-2-yl-3,4-dihydro-2H-chromene);4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;bis(7-propan-2-yl-1,2,3,4-tetrahydroquinoline)?

The IUPAC name of 4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1H-benzimidazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;bis(7-propan-2-yl-3,4-dihydro-2H-chromene);4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;bis(7-propan-2-yl-1,2,3,4-tetrahydroquinoline) (CID 167648578) is 4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1H-benzimidazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;bis(7-propan-2-yl-3,4-dihydro-2H-chromene);4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;bis(7-propan-2-yl-1,2,3,4-tetrahydroquinoline).

What is the SMILES notation for 4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1H-benzimidazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;bis(7-propan-2-yl-3,4-dihydro-2H-chromene);4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;bis(7-propan-2-yl-1,2,3,4-tetrahydroquinoline)?

The canonical SMILES for 4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1H-benzimidazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;bis(7-propan-2-yl-3,4-dihydro-2H-chromene);4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;bis(7-propan-2-yl-1,2,3,4-tetrahydroquinoline) is CC(C)c1ccc2c(c1)CCN2.CC(C)c1ccc2c(c1)NCC2.CC(C)c1ccc2c(c1)NCCC2.CC(C)c1ccc2c(c1)NCCC2.CC(C)c1ccc2c(c1)NCN2.CC(C)c1ccc2c(c1)OCCC2.CC(C)c1ccc2c(c1)OCCC2.CC(C)c1ccc2c(c1)OCCCO2.CC(C)c1cccc2c1CCN2.CC(C)c1cccc2c1OCO2.

What is the InChIKey of 4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1H-benzimidazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;bis(7-propan-2-yl-3,4-dihydro-2H-chromene);4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;bis(7-propan-2-yl-1,2,3,4-tetrahydroquinoline)?

The InChIKey is QFZAGEOBCVLCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H17N.C12H16O2.2C12H16O.3C11H15N.C10H14N2.C10H12O2/c2*1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)10-4-5-11-12(8-10)14-7-3-6-13-11;2*1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9/h2*5-6,8-9,13H,3-4,7H2,1-2H3;4-5,8-9H,3,6-7H2,1-2H3;2*5-6,8-9H,3-4,7H2,1-2H3;2*3-4,7-8,12H,5-6H2,1-2H3;3-5,8,12H,6-7H2,1-2H3;3-5,7,11-12H,6H2,1-2H3;3-5,7H,6H2,1-2H3.

What are the key properties of 4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1H-benzimidazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;bis(7-propan-2-yl-3,4-dihydro-2H-chromene);4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;bis(7-propan-2-yl-1,2,3,4-tetrahydroquinoline)?

4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1H-benzimidazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;bis(7-propan-2-yl-3,4-dihydro-2H-chromene);4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;bis(7-propan-2-yl-1,2,3,4-tetrahydroquinoline) has a molecular weight of 1705.51 g/mol, XLogP of 29.06, 10 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1H-benzimidazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;bis(7-propan-2-yl-3,4-dihydro-2H-chromene);4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-indole;6-propan-2-yl-2,3-dihydro-1H-indole;bis(7-propan-2-yl-1,2,3,4-tetrahydroquinoline) is sourced from PubChem (CID 167648578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).