3-[(2-oxo-3H-indol-1-yl)methyl]-1-phenyl-3H-indol-2-one

C23H18N2O2 — CID 123974116

IUPAC3-[(2-oxo-3H-indol-1-yl)methyl]-1-phenyl-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1CC1C(=O)N(c2ccccc2)c2ccccc21
InChIInChI=1S/C23H18N2O2/c26-22-14-16-8-4-6-12-20(16)24(22)15-19-18-11-5-7-13-21(18)25(23(19)27)17-9-2-1-3-10-17/h1-13,19H,14-15H2
InChIKeyDBFISEWXYSOVFT-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.04
Rot. Bonds3

About 3-[(2-oxo-3H-indol-1-yl)methyl]-1-phenyl-3H-indol-2-one

3-[(2-oxo-3H-indol-1-yl)methyl]-1-phenyl-3H-indol-2-one (PubChem CID 123974116) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[(2-oxo-3H-indol-1-yl)methyl]-1-phenyl-3H-indol-2-one.

Molecular Properties

Compound Name3-[(2-oxo-3H-indol-1-yl)methyl]-1-phenyl-3H-indol-2-one
PubChem CID123974116
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name3-[(2-oxo-3H-indol-1-yl)methyl]-1-phenyl-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1CC1C(=O)N(c2ccccc2)c2ccccc21
InChIInChI=1S/C23H18N2O2/c26-22-14-16-8-4-6-12-20(16)24(22)15-19-18-11-5-7-13-21(18)25(23(19)27)17-9-2-1-3-10-17/h1-13,19H,14-15H2
InChIKeyDBFISEWXYSOVFT-UHFFFAOYSA-N
XLogP4.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-benzyl-1-phenyl-3H-indol-2-one
CID 26367892
1-(pyrrolidin-3-ylmethyl)-3H-indol-2-one
CID 82239891
3-chloro-1-phenyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 19920996
1-[(4-methylphenyl)methyl]-3H-indol-2-one
CID 82083873
(3R)-3-methyl-1-phenyl-3H-indol-2-one
CID 6951281
3-(2-oxo-3-phenylpropyl)-1-phenyl-5H-1-benzazepine-2,4-dione
CID 159563796
1-(2-hydroxyethyl)-3H-indol-2-one
CID 18624228
1-phenyl-5H-1-benzazepine-2,4-dione
CID 67618146
1-(2-sulfanylethyl)-3H-indol-2-one
CID 117030099
3-[(4-methoxy-3-methylphenyl)methyl]-1-phenyl-3H-indol-2-one
CID 43912760
(3S)-2-oxo-1-phenyl-3H-indole-3-carbaldehyde
CID 1070648
2-[(2-oxo-3H-indol-1-yl)methyl]benzoic acid
CID 43473224

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-3H-indol-1-yl)methyl]-1-phenyl-3H-indol-2-one?
The IUPAC name of 3-[(2-oxo-3H-indol-1-yl)methyl]-1-phenyl-3H-indol-2-one (CID 123974116) is 3-[(2-oxo-3H-indol-1-yl)methyl]-1-phenyl-3H-indol-2-one.
What is the SMILES notation for 3-[(2-oxo-3H-indol-1-yl)methyl]-1-phenyl-3H-indol-2-one?
The canonical SMILES for 3-[(2-oxo-3H-indol-1-yl)methyl]-1-phenyl-3H-indol-2-one is O=C1Cc2ccccc2N1CC1C(=O)N(c2ccccc2)c2ccccc21.
What is the InChIKey of 3-[(2-oxo-3H-indol-1-yl)methyl]-1-phenyl-3H-indol-2-one?
The InChIKey is DBFISEWXYSOVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c26-22-14-16-8-4-6-12-20(16)24(22)15-19-18-11-5-7-13-21(18)25(23(19)27)17-9-2-1-3-10-17/h1-13,19H,14-15H2.
What are the key properties of 3-[(2-oxo-3H-indol-1-yl)methyl]-1-phenyl-3H-indol-2-one?
3-[(2-oxo-3H-indol-1-yl)methyl]-1-phenyl-3H-indol-2-one has a molecular weight of 354.41 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-3H-indol-1-yl)methyl]-1-phenyl-3H-indol-2-one is sourced from PubChem (CID 123974116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).