1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-imine

C20H21N3 — CID 21489493

IUPAC1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-imine
SMILES[H]/N=C(\C(C)C)N1c2ccccc2CC1c1c[nH]c2ccccc12
InChIInChI=1S/C20H21N3/c1-13(2)20(21)23-18-10-6-3-7-14(18)11-19(23)16-12-22-17-9-5-4-8-15(16)17/h3-10,12-13,19,21-22H,11H2,1-2H3/b21-20+
InChIKeyFPWXQGBSEWHNCJ-QZQOTICOSA-N
MW303.41 g/mol
LogP4.90
Rot. Bonds2

About 1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-imine

1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-imine (PubChem CID 21489493) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-imine.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-imine
PubChem CID21489493
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-imine
SMILES[H]/N=C(\C(C)C)N1c2ccccc2CC1c1c[nH]c2ccccc12
InChIInChI=1S/C20H21N3/c1-13(2)20(21)23-18-10-6-3-7-14(18)11-19(23)16-12-22-17-9-5-4-8-15(16)17/h3-10,12-13,19,21-22H,11H2,1-2H3/b21-20+
InChIKeyFPWXQGBSEWHNCJ-QZQOTICOSA-N
XLogP4.90
TPSA42.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-imine?
The IUPAC name of 1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-imine (CID 21489493) is 1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-imine.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-imine?
The canonical SMILES for 1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-imine is [H]/N=C(\C(C)C)N1c2ccccc2CC1c1c[nH]c2ccccc12.
What is the InChIKey of 1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-imine?
The InChIKey is FPWXQGBSEWHNCJ-QZQOTICOSA-N. The full InChI is InChI=1S/C20H21N3/c1-13(2)20(21)23-18-10-6-3-7-14(18)11-19(23)16-12-22-17-9-5-4-8-15(16)17/h3-10,12-13,19,21-22H,11H2,1-2H3/b21-20+.
What are the key properties of 1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-imine?
1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-imine has a molecular weight of 303.41 g/mol, XLogP of 4.90, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-imine is sourced from PubChem (CID 21489493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).