6-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-isoindole;6-propan-2-yl-1H-indazole;7-propan-2-ylisoquinoline;1-(4-propan-2-ylphenyl)imidazole;4-(4-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-ylphenyl)-2,3,4,5-tetrahydro-1-benzazepine;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine

C111H140N12 — CID 157072307

About 6-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-isoindole;6-propan-2-yl-1H-indazole;7-propan-2-ylisoquinoline;1-(4-propan-2-ylphenyl)imidazole;4-(4-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-ylphenyl)-2,3,4,5-tetrahydro-1-benzazepine;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine

6-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-isoindole;6-propan-2-yl-1H-indazole;7-propan-2-ylisoquinoline;1-(4-propan-2-ylphenyl)imidazole;4-(4-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-ylphenyl)-2,3,4,5-tetrahydro-1-benzazepine;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine (PubChem CID 157072307) has the molecular formula C111H140N12 and a molecular weight of 1642.42 g/mol. Its IUPAC name is 6-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-isoindole;6-propan-2-yl-1H-indazole;7-propan-2-ylisoquinoline;1-(4-propan-2-ylphenyl)imidazole;4-(4-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-ylphenyl)-2,3,4,5-tetrahydro-1-benzazepine;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine.

Molecular Properties

• Compound Name: 6-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-isoindole;6-propan-2-yl-1H-indazole;7-propan-2-ylisoquinoline;1-(4-propan-2-ylphenyl)imidazole;4-(4-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-ylphenyl)-2,3,4,5-tetrahydro-1-benzazepine;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine
• PubChem CID: 157072307
• Molecular Formula: C111H140N12
• Molecular Weight: 1642.42 g/mol
• Exact Mass: 1641.13
• IUPAC Name: 6-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-isoindole;6-propan-2-yl-1H-indazole;7-propan-2-ylisoquinoline;1-(4-propan-2-ylphenyl)imidazole;4-(4-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-ylphenyl)-2,3,4,5-tetrahydro-1-benzazepine;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine
• SMILES: CC(C)c1ccc(-n2ccnc2)cc1.CC(C)c1ccc(C2=CCN=C2)cc1.CC(C)c1ccc(N2CCCCc3ccccc32)cc1.CC(C)c1ccc2c(c1)CNC2.CC(C)c1ccc2c(c1)CNCC2.CC(C)c1ccc2c(c1)NCC2.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1cnc2c(c1)CNCC2
• InChI: InChI=1S/C19H23N.C13H15N.C12H14N2.C12H17N.C12H13N.C11H16N2.2C11H15N.C10H12N2/c1-15(2)16-10-12-18(13-11-16)20-14-6-5-8-17-7-3-4-9-19(17)20;1-10(2)11-3-5-12(6-4-11)13-7-8-14-9-13;1-10(2)11-3-5-12(6-4-11)14-8-7-13-9-14;2*1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-8(2)9-5-10-6-12-4-3-11(10)13-7-9;1-8(2)9-3-4-10-6-12-7-11(10)5-9;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)8-3-4-9-6-11-12-10(9)5-8/h3-4,7,9-13,15H,5-6,8,14H2,1-2H3;3-7,9-10H,8H2,1-2H3;3-10H,1-2H3;3-4,7,9,13H,5-6,8H2,1-2H3;3-9H,1-2H3;5,7-8,12H,3-4,6H2,1-2H3;3-5,8,12H,6-7H2,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;3-7H,1-2H3,(H,11,12)
• InChIKey: ACOLTJHTQVVNNN-UHFFFAOYSA-N
• XLogP: 27.10
• TPSA: 136.00 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1642.42
LogP ≤ 5	27.10
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-isoindole;6-propan-2-yl-1H-indazole;7-propan-2-ylisoquinoline;1-(4-propan-2-ylphenyl)imidazole;4-(4-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-ylphenyl)-2,3,4,5-tetrahydro-1-benzazepine;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine?

The IUPAC name of 6-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-isoindole;6-propan-2-yl-1H-indazole;7-propan-2-ylisoquinoline;1-(4-propan-2-ylphenyl)imidazole;4-(4-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-ylphenyl)-2,3,4,5-tetrahydro-1-benzazepine;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine (CID 157072307) is 6-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-isoindole;6-propan-2-yl-1H-indazole;7-propan-2-ylisoquinoline;1-(4-propan-2-ylphenyl)imidazole;4-(4-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-ylphenyl)-2,3,4,5-tetrahydro-1-benzazepine;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine.

What is the SMILES notation for 6-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-isoindole;6-propan-2-yl-1H-indazole;7-propan-2-ylisoquinoline;1-(4-propan-2-ylphenyl)imidazole;4-(4-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-ylphenyl)-2,3,4,5-tetrahydro-1-benzazepine;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine?

The canonical SMILES for 6-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-isoindole;6-propan-2-yl-1H-indazole;7-propan-2-ylisoquinoline;1-(4-propan-2-ylphenyl)imidazole;4-(4-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-ylphenyl)-2,3,4,5-tetrahydro-1-benzazepine;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine is CC(C)c1ccc(-n2ccnc2)cc1.CC(C)c1ccc(C2=CCN=C2)cc1.CC(C)c1ccc(N2CCCCc3ccccc32)cc1.CC(C)c1ccc2c(c1)CNC2.CC(C)c1ccc2c(c1)CNCC2.CC(C)c1ccc2c(c1)NCC2.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1cnc2c(c1)CNCC2.

What is the InChIKey of 6-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-isoindole;6-propan-2-yl-1H-indazole;7-propan-2-ylisoquinoline;1-(4-propan-2-ylphenyl)imidazole;4-(4-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-ylphenyl)-2,3,4,5-tetrahydro-1-benzazepine;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine?

The InChIKey is ACOLTJHTQVVNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N.C13H15N.C12H14N2.C12H17N.C12H13N.C11H16N2.2C11H15N.C10H12N2/c1-15(2)16-10-12-18(13-11-16)20-14-6-5-8-17-7-3-4-9-19(17)20;1-10(2)11-3-5-12(6-4-11)13-7-8-14-9-13;1-10(2)11-3-5-12(6-4-11)14-8-7-13-9-14;2*1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-8(2)9-5-10-6-12-4-3-11(10)13-7-9;1-8(2)9-3-4-10-6-12-7-11(10)5-9;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)8-3-4-9-6-11-12-10(9)5-8/h3-4,7,9-13,15H,5-6,8,14H2,1-2H3;3-7,9-10H,8H2,1-2H3;3-10H,1-2H3;3-4,7,9,13H,5-6,8H2,1-2H3;3-9H,1-2H3;5,7-8,12H,3-4,6H2,1-2H3;3-5,8,12H,6-7H2,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;3-7H,1-2H3,(H,11,12).

What are the key properties of 6-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-isoindole;6-propan-2-yl-1H-indazole;7-propan-2-ylisoquinoline;1-(4-propan-2-ylphenyl)imidazole;4-(4-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-ylphenyl)-2,3,4,5-tetrahydro-1-benzazepine;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine?

6-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-isoindole;6-propan-2-yl-1H-indazole;7-propan-2-ylisoquinoline;1-(4-propan-2-ylphenyl)imidazole;4-(4-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-ylphenyl)-2,3,4,5-tetrahydro-1-benzazepine;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine has a molecular weight of 1642.42 g/mol, XLogP of 27.10, 12 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydro-1H-isoindole;6-propan-2-yl-1H-indazole;7-propan-2-ylisoquinoline;1-(4-propan-2-ylphenyl)imidazole;4-(4-propan-2-ylphenyl)-2H-pyrrole;1-(4-propan-2-ylphenyl)-2,3,4,5-tetrahydro-1-benzazepine;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine is sourced from PubChem (CID 157072307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).