1-[(2,4-dimethylphenyl)methyl]-3-hydroxy-3-(1H-indol-3-yl)indol-2-one

C25H22N2O2 — CID 3720904

IUPAC1-[(2,4-dimethylphenyl)methyl]-3-hydroxy-3-(1H-indol-3-yl)indol-2-one
SMILESCc1ccc(CN2C(=O)C(O)(c3c[nH]c4ccccc34)c3ccccc32)c(C)c1
InChIInChI=1S/C25H22N2O2/c1-16-11-12-18(17(2)13-16)15-27-23-10-6-4-8-20(23)25(29,24(27)28)21-14-26-22-9-5-3-7-19(21)22/h3-14,26,29H,15H2,1-2H3
InChIKeyRXUCURWJSKFVCH-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.57
Rot. Bonds3

About 1-[(2,4-dimethylphenyl)methyl]-3-hydroxy-3-(1H-indol-3-yl)indol-2-one

1-[(2,4-dimethylphenyl)methyl]-3-hydroxy-3-(1H-indol-3-yl)indol-2-one (PubChem CID 3720904) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenyl)methyl]-3-hydroxy-3-(1H-indol-3-yl)indol-2-one.

Molecular Properties

Compound Name1-[(2,4-dimethylphenyl)methyl]-3-hydroxy-3-(1H-indol-3-yl)indol-2-one
PubChem CID3720904
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name1-[(2,4-dimethylphenyl)methyl]-3-hydroxy-3-(1H-indol-3-yl)indol-2-one
SMILESCc1ccc(CN2C(=O)C(O)(c3c[nH]c4ccccc34)c3ccccc32)c(C)c1
InChIInChI=1S/C25H22N2O2/c1-16-11-12-18(17(2)13-16)15-27-23-10-6-4-8-20(23)25(29,24(27)28)21-14-26-22-9-5-3-7-19(21)22/h3-14,26,29H,15H2,1-2H3
InChIKeyRXUCURWJSKFVCH-UHFFFAOYSA-N
XLogP4.57
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenyl)methyl]-3-hydroxy-3-(1H-indol-3-yl)indol-2-one?
The IUPAC name of 1-[(2,4-dimethylphenyl)methyl]-3-hydroxy-3-(1H-indol-3-yl)indol-2-one (CID 3720904) is 1-[(2,4-dimethylphenyl)methyl]-3-hydroxy-3-(1H-indol-3-yl)indol-2-one.
What is the SMILES notation for 1-[(2,4-dimethylphenyl)methyl]-3-hydroxy-3-(1H-indol-3-yl)indol-2-one?
The canonical SMILES for 1-[(2,4-dimethylphenyl)methyl]-3-hydroxy-3-(1H-indol-3-yl)indol-2-one is Cc1ccc(CN2C(=O)C(O)(c3c[nH]c4ccccc34)c3ccccc32)c(C)c1.
What is the InChIKey of 1-[(2,4-dimethylphenyl)methyl]-3-hydroxy-3-(1H-indol-3-yl)indol-2-one?
The InChIKey is RXUCURWJSKFVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-16-11-12-18(17(2)13-16)15-27-23-10-6-4-8-20(23)25(29,24(27)28)21-14-26-22-9-5-3-7-19(21)22/h3-14,26,29H,15H2,1-2H3.
What are the key properties of 1-[(2,4-dimethylphenyl)methyl]-3-hydroxy-3-(1H-indol-3-yl)indol-2-one?
1-[(2,4-dimethylphenyl)methyl]-3-hydroxy-3-(1H-indol-3-yl)indol-2-one has a molecular weight of 382.46 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylphenyl)methyl]-3-hydroxy-3-(1H-indol-3-yl)indol-2-one is sourced from PubChem (CID 3720904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).