1-benzyl-3-methoxy-3-phenylindol-2-one

C22H19NO2 — CID 102476006

IUPAC1-benzyl-3-methoxy-3-phenylindol-2-one
SMILESCOC1(c2ccccc2)C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C22H19NO2/c1-25-22(18-12-6-3-7-13-18)19-14-8-9-15-20(19)23(21(22)24)16-17-10-4-2-5-11-17/h2-15H,16H2,1H3
InChIKeyJQJJEOCPWOOOND-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.12
Rot. Bonds4

About 1-benzyl-3-methoxy-3-phenylindol-2-one

1-benzyl-3-methoxy-3-phenylindol-2-one (PubChem CID 102476006) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-benzyl-3-methoxy-3-phenylindol-2-one.

Molecular Properties

Compound Name1-benzyl-3-methoxy-3-phenylindol-2-one
PubChem CID102476006
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name1-benzyl-3-methoxy-3-phenylindol-2-one
SMILESCOC1(c2ccccc2)C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C22H19NO2/c1-25-22(18-12-6-3-7-13-18)19-14-8-9-15-20(19)23(21(22)24)16-17-10-4-2-5-11-17/h2-15H,16H2,1H3
InChIKeyJQJJEOCPWOOOND-UHFFFAOYSA-N
XLogP4.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methoxy-3-phenylindol-2-one?
The IUPAC name of 1-benzyl-3-methoxy-3-phenylindol-2-one (CID 102476006) is 1-benzyl-3-methoxy-3-phenylindol-2-one.
What is the SMILES notation for 1-benzyl-3-methoxy-3-phenylindol-2-one?
The canonical SMILES for 1-benzyl-3-methoxy-3-phenylindol-2-one is COC1(c2ccccc2)C(=O)N(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 1-benzyl-3-methoxy-3-phenylindol-2-one?
The InChIKey is JQJJEOCPWOOOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c1-25-22(18-12-6-3-7-13-18)19-14-8-9-15-20(19)23(21(22)24)16-17-10-4-2-5-11-17/h2-15H,16H2,1H3.
What are the key properties of 1-benzyl-3-methoxy-3-phenylindol-2-one?
1-benzyl-3-methoxy-3-phenylindol-2-one has a molecular weight of 329.40 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methoxy-3-phenylindol-2-one is sourced from PubChem (CID 102476006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).