4-[3-[[1-[(1-benzylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2-methylbutan-2-ol

C30H41N3O — CID 19077573

About 4-[3-[[1-[(1-benzylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2-methylbutan-2-ol

4-[3-[[1-[(1-benzylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2-methylbutan-2-ol (PubChem CID 19077573) has the molecular formula C30H41N3O and a molecular weight of 459.68 g/mol. Its IUPAC name is 4-[3-[[1-[(1-benzylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2-methylbutan-2-ol.

Molecular Properties

• Compound Name: 4-[3-[[1-[(1-benzylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2-methylbutan-2-ol
• PubChem CID: 19077573
• Molecular Formula: C30H41N3O
• Molecular Weight: 459.68 g/mol
• Exact Mass: 459.32
• IUPAC Name: 4-[3-[[1-[(1-benzylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2-methylbutan-2-ol
• SMILES: CC(C)(O)CCc1ccc2[nH]cc(CC3CCCN3CC3CCN(Cc4ccccc4)C3)c2c1
• InChI: InChI=1S/C30H41N3O/c1-30(2,34)14-12-23-10-11-29-28(17-23)26(19-31-29)18-27-9-6-15-33(27)22-25-13-16-32(21-25)20-24-7-4-3-5-8-24/h3-5,7-8,10-11,17,19,25,27,31,34H,6,9,12-16,18,20-22H2,1-2H3
• InChIKey: JZQOKHGBAOGTNM-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 42.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.68
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[1-[(1-benzylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2-methylbutan-2-ol?

The IUPAC name of 4-[3-[[1-[(1-benzylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2-methylbutan-2-ol (CID 19077573) is 4-[3-[[1-[(1-benzylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2-methylbutan-2-ol.

What is the SMILES notation for 4-[3-[[1-[(1-benzylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2-methylbutan-2-ol?

The canonical SMILES for 4-[3-[[1-[(1-benzylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2-methylbutan-2-ol is CC(C)(O)CCc1ccc2[nH]cc(CC3CCCN3CC3CCN(Cc4ccccc4)C3)c2c1.

What is the InChIKey of 4-[3-[[1-[(1-benzylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2-methylbutan-2-ol?

The InChIKey is JZQOKHGBAOGTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N3O/c1-30(2,34)14-12-23-10-11-29-28(17-23)26(19-31-29)18-27-9-6-15-33(27)22-25-13-16-32(21-25)20-24-7-4-3-5-8-24/h3-5,7-8,10-11,17,19,25,27,31,34H,6,9,12-16,18,20-22H2,1-2H3.

What are the key properties of 4-[3-[[1-[(1-benzylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2-methylbutan-2-ol?

4-[3-[[1-[(1-benzylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2-methylbutan-2-ol has a molecular weight of 459.68 g/mol, XLogP of 5.40, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[[1-[(1-benzylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 19077573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).