1-[(2,5-dimethylphenyl)methyl]-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one

C26H24N2O2 — CID 3714613

IUPAC1-[(2,5-dimethylphenyl)methyl]-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one
SMILESCc1ccc(C)c(CN2C(=O)C(O)(c3c(C)[nH]c4ccccc34)c3ccccc32)c1
InChIInChI=1S/C26H24N2O2/c1-16-12-13-17(2)19(14-16)15-28-23-11-7-5-9-21(23)26(30,25(28)29)24-18(3)27-22-10-6-4-8-20(22)24/h4-14,27,30H,15H2,1-3H3
InChIKeyQNFHEVDSOADLHT-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.88
Rot. Bonds3

About 1-[(2,5-dimethylphenyl)methyl]-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one

1-[(2,5-dimethylphenyl)methyl]-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one (PubChem CID 3714613) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one
PubChem CID3714613
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name1-[(2,5-dimethylphenyl)methyl]-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one
SMILESCc1ccc(C)c(CN2C(=O)C(O)(c3c(C)[nH]c4ccccc34)c3ccccc32)c1
InChIInChI=1S/C26H24N2O2/c1-16-12-13-17(2)19(14-16)15-28-23-11-7-5-9-21(23)26(30,25(28)29)24-18(3)27-22-10-6-4-8-20(22)24/h4-14,27,30H,15H2,1-3H3
InChIKeyQNFHEVDSOADLHT-UHFFFAOYSA-N
XLogP4.88
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one (CID 3714613) is 1-[(2,5-dimethylphenyl)methyl]-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one is Cc1ccc(C)c(CN2C(=O)C(O)(c3c(C)[nH]c4ccccc34)c3ccccc32)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one?
The InChIKey is QNFHEVDSOADLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-16-12-13-17(2)19(14-16)15-28-23-11-7-5-9-21(23)26(30,25(28)29)24-18(3)27-22-10-6-4-8-20(22)24/h4-14,27,30H,15H2,1-3H3.
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one?
1-[(2,5-dimethylphenyl)methyl]-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one has a molecular weight of 396.49 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)methyl]-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one is sourced from PubChem (CID 3714613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).