2-[[4-(indol-1-ylmethyl)cyclohexyl]methyl]isoindole-1,3-dione

C24H24N2O2 — CID 139958945

IUPAC2-[[4-(indol-1-ylmethyl)cyclohexyl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC1CCC(Cn2ccc3ccccc32)CC1
InChIInChI=1S/C24H24N2O2/c27-23-20-6-2-3-7-21(20)24(28)26(23)16-18-11-9-17(10-12-18)15-25-14-13-19-5-1-4-8-22(19)25/h1-8,13-14,17-18H,9-12,15-16H2
InChIKeyHKDUEUZXUCCUGH-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.74
Rot. Bonds4

About 2-[[4-(indol-1-ylmethyl)cyclohexyl]methyl]isoindole-1,3-dione

2-[[4-(indol-1-ylmethyl)cyclohexyl]methyl]isoindole-1,3-dione (PubChem CID 139958945) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[[4-(indol-1-ylmethyl)cyclohexyl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[4-(indol-1-ylmethyl)cyclohexyl]methyl]isoindole-1,3-dione
PubChem CID139958945
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name2-[[4-(indol-1-ylmethyl)cyclohexyl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC1CCC(Cn2ccc3ccccc32)CC1
InChIInChI=1S/C24H24N2O2/c27-23-20-6-2-3-7-21(20)24(28)26(23)16-18-11-9-17(10-12-18)15-25-14-13-19-5-1-4-8-22(19)25/h1-8,13-14,17-18H,9-12,15-16H2
InChIKeyHKDUEUZXUCCUGH-UHFFFAOYSA-N
XLogP4.74
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(indol-1-ylmethyl)cyclohexyl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[4-(indol-1-ylmethyl)cyclohexyl]methyl]isoindole-1,3-dione (CID 139958945) is 2-[[4-(indol-1-ylmethyl)cyclohexyl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[4-(indol-1-ylmethyl)cyclohexyl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[4-(indol-1-ylmethyl)cyclohexyl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CC1CCC(Cn2ccc3ccccc32)CC1.
What is the InChIKey of 2-[[4-(indol-1-ylmethyl)cyclohexyl]methyl]isoindole-1,3-dione?
The InChIKey is HKDUEUZXUCCUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c27-23-20-6-2-3-7-21(20)24(28)26(23)16-18-11-9-17(10-12-18)15-25-14-13-19-5-1-4-8-22(19)25/h1-8,13-14,17-18H,9-12,15-16H2.
What are the key properties of 2-[[4-(indol-1-ylmethyl)cyclohexyl]methyl]isoindole-1,3-dione?
2-[[4-(indol-1-ylmethyl)cyclohexyl]methyl]isoindole-1,3-dione has a molecular weight of 372.47 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(indol-1-ylmethyl)cyclohexyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 139958945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).