4-[(E)-[(E)-1-(1-benzofuran-2-yl)ethylidenehydrazinylidene]methyl]-N,N-dimethylaniline

C19H19N3O — CID 134999736

IUPAC4-[(E)-[(E)-1-(1-benzofuran-2-yl)ethylidenehydrazinylidene]methyl]-N,N-dimethylaniline
SMILESC/C(=N\N=C\c1ccc(N(C)C)cc1)c1cc2ccccc2o1
InChIInChI=1S/C19H19N3O/c1-14(19-12-16-6-4-5-7-18(16)23-19)21-20-13-15-8-10-17(11-9-15)22(2)3/h4-13H,1-3H3/b20-13+,21-14+
InChIKeyOYKNCVATJWXFLK-KVVJQUGZSA-N
MW305.38 g/mol
LogP4.34
Rot. Bonds4

About 4-[(E)-[(E)-1-(1-benzofuran-2-yl)ethylidenehydrazinylidene]methyl]-N,N-dimethylaniline

4-[(E)-[(E)-1-(1-benzofuran-2-yl)ethylidenehydrazinylidene]methyl]-N,N-dimethylaniline (PubChem CID 134999736) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-[(E)-[(E)-1-(1-benzofuran-2-yl)ethylidenehydrazinylidene]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-[(E)-1-(1-benzofuran-2-yl)ethylidenehydrazinylidene]methyl]-N,N-dimethylaniline
PubChem CID134999736
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name4-[(E)-[(E)-1-(1-benzofuran-2-yl)ethylidenehydrazinylidene]methyl]-N,N-dimethylaniline
SMILESC/C(=N\N=C\c1ccc(N(C)C)cc1)c1cc2ccccc2o1
InChIInChI=1S/C19H19N3O/c1-14(19-12-16-6-4-5-7-18(16)23-19)21-20-13-15-8-10-17(11-9-15)22(2)3/h4-13H,1-3H3/b20-13+,21-14+
InChIKeyOYKNCVATJWXFLK-KVVJQUGZSA-N
XLogP4.34
TPSA41.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_J(3)', '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

N-[(5-methyl-2-furyl)methylene]-4-(4-methylphenyl)-1-piperazinamine
CID 5398195
4-(6-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline
CID 71457198
4-(5-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline
CID 71462568
N,N-dimethyl-4-(2-(5-methylbenzofuran-2-yl)vinyl)benzenamine
CID 44548007
4-(2-(5-iodobenzofuran-2-yl)vinyl)-N,N-dimethylbenzenamine
CID 44548164
N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-2-(4-fluoroanilino)acetamide
CID 9630680
5-Methyl-2-furaldehyde benzyl(phenyl)hydrazone
CID 9681278
4-(2-(5-fluorobenzofuran-2-yl)vinyl)-N,N-dimethylbenzenamine
CID 44548163
N,N-dimethyl-4-(2-(6-methylbenzofuran-2-yl)vinyl)benzenamine
CID 44548166
4-(2-(6-fluorobenzofuran-2-yl)vinyl)-N,N-dimethylbenzenamine
CID 44548168
4-(2-(benzofuran-2-yl)vinyl)-N,N-dimethylbenzenamine
CID 44548342
4-(2-(6-iodobenzofuran-2-yl)vinyl)-N,N-dimethylbenzenamine
CID 44548345

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(E)-1-(1-benzofuran-2-yl)ethylidenehydrazinylidene]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-[(E)-1-(1-benzofuran-2-yl)ethylidenehydrazinylidene]methyl]-N,N-dimethylaniline (CID 134999736) is 4-[(E)-[(E)-1-(1-benzofuran-2-yl)ethylidenehydrazinylidene]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-[(E)-1-(1-benzofuran-2-yl)ethylidenehydrazinylidene]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-[(E)-1-(1-benzofuran-2-yl)ethylidenehydrazinylidene]methyl]-N,N-dimethylaniline is C/C(=N\N=C\c1ccc(N(C)C)cc1)c1cc2ccccc2o1.
What is the InChIKey of 4-[(E)-[(E)-1-(1-benzofuran-2-yl)ethylidenehydrazinylidene]methyl]-N,N-dimethylaniline?
The InChIKey is OYKNCVATJWXFLK-KVVJQUGZSA-N. The full InChI is InChI=1S/C19H19N3O/c1-14(19-12-16-6-4-5-7-18(16)23-19)21-20-13-15-8-10-17(11-9-15)22(2)3/h4-13H,1-3H3/b20-13+,21-14+.
What are the key properties of 4-[(E)-[(E)-1-(1-benzofuran-2-yl)ethylidenehydrazinylidene]methyl]-N,N-dimethylaniline?
4-[(E)-[(E)-1-(1-benzofuran-2-yl)ethylidenehydrazinylidene]methyl]-N,N-dimethylaniline has a molecular weight of 305.38 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(E)-1-(1-benzofuran-2-yl)ethylidenehydrazinylidene]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 134999736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).