1-benzyl-5-chloro-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one

C24H19ClN2O2 — CID 3261163

IUPAC1-benzyl-5-chloro-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one
SMILESCc1[nH]c2ccccc2c1C1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21
InChIInChI=1S/C24H19ClN2O2/c1-15-22(18-9-5-6-10-20(18)26-15)24(29)19-13-17(25)11-12-21(19)27(23(24)28)14-16-7-3-2-4-8-16/h2-13,26,29H,14H2,1H3
InChIKeyVUUGHFZXXFTFQA-UHFFFAOYSA-N
MW402.88 g/mol
LogP4.91
Rot. Bonds3

About 1-benzyl-5-chloro-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one

1-benzyl-5-chloro-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one (PubChem CID 3261163) has the molecular formula C24H19ClN2O2 and a molecular weight of 402.88 g/mol. Its IUPAC name is 1-benzyl-5-chloro-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one.

Molecular Properties

Compound Name1-benzyl-5-chloro-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one
PubChem CID3261163
Molecular FormulaC24H19ClN2O2
Molecular Weight402.88 g/mol
Exact Mass402.11
IUPAC Name1-benzyl-5-chloro-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one
SMILESCc1[nH]c2ccccc2c1C1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21
InChIInChI=1S/C24H19ClN2O2/c1-15-22(18-9-5-6-10-20(18)26-15)24(29)19-13-17(25)11-12-21(19)27(23(24)28)14-16-7-3-2-4-8-16/h2-13,26,29H,14H2,1H3
InChIKeyVUUGHFZXXFTFQA-UHFFFAOYSA-N
XLogP4.91
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one?
The IUPAC name of 1-benzyl-5-chloro-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one (CID 3261163) is 1-benzyl-5-chloro-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one.
What is the SMILES notation for 1-benzyl-5-chloro-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one?
The canonical SMILES for 1-benzyl-5-chloro-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one is Cc1[nH]c2ccccc2c1C1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21.
What is the InChIKey of 1-benzyl-5-chloro-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one?
The InChIKey is VUUGHFZXXFTFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O2/c1-15-22(18-9-5-6-10-20(18)26-15)24(29)19-13-17(25)11-12-21(19)27(23(24)28)14-16-7-3-2-4-8-16/h2-13,26,29H,14H2,1H3.
What are the key properties of 1-benzyl-5-chloro-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one?
1-benzyl-5-chloro-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one has a molecular weight of 402.88 g/mol, XLogP of 4.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one is sourced from PubChem (CID 3261163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).