1-benzyl-3-[(4-methoxyphenyl)methylidenehydrazinylidene]indol-2-one

C23H19N3O2 — CID 5116562

IUPAC1-benzyl-3-[(4-methoxyphenyl)methylidenehydrazinylidene]indol-2-one
SMILESCOc1ccc(C=NN=C2C(=O)N(Cc3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C23H19N3O2/c1-28-19-13-11-17(12-14-19)15-24-25-22-20-9-5-6-10-21(20)26(23(22)27)16-18-7-3-2-4-8-18/h2-15H,16H2,1H3
InChIKeyKRIVMLRKXGJHTE-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.07
Rot. Bonds5

About 1-benzyl-3-[(4-methoxyphenyl)methylidenehydrazinylidene]indol-2-one

1-benzyl-3-[(4-methoxyphenyl)methylidenehydrazinylidene]indol-2-one (PubChem CID 5116562) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 1-benzyl-3-[(4-methoxyphenyl)methylidenehydrazinylidene]indol-2-one.

Molecular Properties

Compound Name1-benzyl-3-[(4-methoxyphenyl)methylidenehydrazinylidene]indol-2-one
PubChem CID5116562
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name1-benzyl-3-[(4-methoxyphenyl)methylidenehydrazinylidene]indol-2-one
SMILESCOc1ccc(C=NN=C2C(=O)N(Cc3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C23H19N3O2/c1-28-19-13-11-17(12-14-19)15-24-25-22-20-9-5-6-10-21(20)26(23(22)27)16-18-7-3-2-4-8-18/h2-15H,16H2,1H3
InChIKeyKRIVMLRKXGJHTE-UHFFFAOYSA-N
XLogP4.07
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3Z)-1-benzyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]indol-2-one
CID 135733167
2-[3-[(4-methoxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide
CID 4312042
(2Z,5R)-3-benzyl-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 7404039
(3Z)-1-benzyl-3-[(4-methoxyphenyl)-phenylmethylidene]indol-2-one
CID 101359125
(3Z)-3-[(Z)-(4-ethoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one
CID 9214007
(2Z,5S)-3-benzyl-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one
CID 6885265
4-[(Z)-[(Z)-(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 8900417
2-[(Z)-[(Z)-(1-benzyl-2-oxoindol-3-ylidene)hydrazinylidene]methyl]-4-nitrophenolate
CID 7302313
(5Z)-3-benzyl-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1269046
(2Z,5R)-3-benzyl-5-[(4-fluorophenyl)methyl]-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 40972053
3-(benzylideneamino)-1-[(4-methoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 147831940
(3E)-1-ethyl-3-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]indol-2-one
CID 9122462

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(4-methoxyphenyl)methylidenehydrazinylidene]indol-2-one?
The IUPAC name of 1-benzyl-3-[(4-methoxyphenyl)methylidenehydrazinylidene]indol-2-one (CID 5116562) is 1-benzyl-3-[(4-methoxyphenyl)methylidenehydrazinylidene]indol-2-one.
What is the SMILES notation for 1-benzyl-3-[(4-methoxyphenyl)methylidenehydrazinylidene]indol-2-one?
The canonical SMILES for 1-benzyl-3-[(4-methoxyphenyl)methylidenehydrazinylidene]indol-2-one is COc1ccc(C=NN=C2C(=O)N(Cc3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 1-benzyl-3-[(4-methoxyphenyl)methylidenehydrazinylidene]indol-2-one?
The InChIKey is KRIVMLRKXGJHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-28-19-13-11-17(12-14-19)15-24-25-22-20-9-5-6-10-21(20)26(23(22)27)16-18-7-3-2-4-8-18/h2-15H,16H2,1H3.
What are the key properties of 1-benzyl-3-[(4-methoxyphenyl)methylidenehydrazinylidene]indol-2-one?
1-benzyl-3-[(4-methoxyphenyl)methylidenehydrazinylidene]indol-2-one has a molecular weight of 369.42 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(4-methoxyphenyl)methylidenehydrazinylidene]indol-2-one is sourced from PubChem (CID 5116562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).