1-(5-methyl-2,3-dihydroindol-1-yl)-2-(5-methyl-1H-indol-3-yl)ethane-1,2-dione

C20H18N2O2 — CID 45267643

IUPAC1-(5-methyl-2,3-dihydroindol-1-yl)-2-(5-methyl-1H-indol-3-yl)ethane-1,2-dione
SMILESCc1ccc2c(c1)CCN2C(=O)C(=O)c1c[nH]c2ccc(C)cc12
InChIInChI=1S/C20H18N2O2/c1-12-4-6-18-14(9-12)7-8-22(18)20(24)19(23)16-11-21-17-5-3-13(2)10-15(16)17/h3-6,9-11,21H,7-8H2,1-2H3
InChIKeyBICOMKBAGNUDPP-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.56
Rot. Bonds2

About 1-(5-methyl-2,3-dihydroindol-1-yl)-2-(5-methyl-1H-indol-3-yl)ethane-1,2-dione

1-(5-methyl-2,3-dihydroindol-1-yl)-2-(5-methyl-1H-indol-3-yl)ethane-1,2-dione (PubChem CID 45267643) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-(5-methyl-2,3-dihydroindol-1-yl)-2-(5-methyl-1H-indol-3-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(5-methyl-2,3-dihydroindol-1-yl)-2-(5-methyl-1H-indol-3-yl)ethane-1,2-dione
PubChem CID45267643
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name1-(5-methyl-2,3-dihydroindol-1-yl)-2-(5-methyl-1H-indol-3-yl)ethane-1,2-dione
SMILESCc1ccc2c(c1)CCN2C(=O)C(=O)c1c[nH]c2ccc(C)cc12
InChIInChI=1S/C20H18N2O2/c1-12-4-6-18-14(9-12)7-8-22(18)20(24)19(23)16-11-21-17-5-3-13(2)10-15(16)17/h3-6,9-11,21H,7-8H2,1-2H3
InChIKeyBICOMKBAGNUDPP-UHFFFAOYSA-N
XLogP3.56
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2,3-dihydroindol-1-yl)-2-(5-methyl-1H-indol-3-yl)ethane-1,2-dione?
The IUPAC name of 1-(5-methyl-2,3-dihydroindol-1-yl)-2-(5-methyl-1H-indol-3-yl)ethane-1,2-dione (CID 45267643) is 1-(5-methyl-2,3-dihydroindol-1-yl)-2-(5-methyl-1H-indol-3-yl)ethane-1,2-dione.
What is the SMILES notation for 1-(5-methyl-2,3-dihydroindol-1-yl)-2-(5-methyl-1H-indol-3-yl)ethane-1,2-dione?
The canonical SMILES for 1-(5-methyl-2,3-dihydroindol-1-yl)-2-(5-methyl-1H-indol-3-yl)ethane-1,2-dione is Cc1ccc2c(c1)CCN2C(=O)C(=O)c1c[nH]c2ccc(C)cc12.
What is the InChIKey of 1-(5-methyl-2,3-dihydroindol-1-yl)-2-(5-methyl-1H-indol-3-yl)ethane-1,2-dione?
The InChIKey is BICOMKBAGNUDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-12-4-6-18-14(9-12)7-8-22(18)20(24)19(23)16-11-21-17-5-3-13(2)10-15(16)17/h3-6,9-11,21H,7-8H2,1-2H3.
What are the key properties of 1-(5-methyl-2,3-dihydroindol-1-yl)-2-(5-methyl-1H-indol-3-yl)ethane-1,2-dione?
1-(5-methyl-2,3-dihydroindol-1-yl)-2-(5-methyl-1H-indol-3-yl)ethane-1,2-dione has a molecular weight of 318.38 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2,3-dihydroindol-1-yl)-2-(5-methyl-1H-indol-3-yl)ethane-1,2-dione is sourced from PubChem (CID 45267643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).