N-[1-[5-(2,3-dihydroindol-1-yliminomethyl)-1-benzofuran-2-yl]ethylideneamino]-N-methylaniline

C26H24N4O — CID 54078156

IUPACN-[1-[5-(2,3-dihydroindol-1-yliminomethyl)-1-benzofuran-2-yl]ethylideneamino]-N-methylaniline
SMILESCC(=NN(C)c1ccccc1)c1cc2cc(C=NN3CCc4ccccc43)ccc2o1
InChIInChI=1S/C26H24N4O/c1-19(28-29(2)23-9-4-3-5-10-23)26-17-22-16-20(12-13-25(22)31-26)18-27-30-15-14-21-8-6-7-11-24(21)30/h3-13,16-18H,14-15H2,1-2H3
InChIKeyMLDYDHLARMNVJT-UHFFFAOYSA-N
MW408.51 g/mol
LogP5.69
Rot. Bonds5

About N-[1-[5-(2,3-dihydroindol-1-yliminomethyl)-1-benzofuran-2-yl]ethylideneamino]-N-methylaniline

N-[1-[5-(2,3-dihydroindol-1-yliminomethyl)-1-benzofuran-2-yl]ethylideneamino]-N-methylaniline (PubChem CID 54078156) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is N-[1-[5-(2,3-dihydroindol-1-yliminomethyl)-1-benzofuran-2-yl]ethylideneamino]-N-methylaniline.

Molecular Properties

Compound NameN-[1-[5-(2,3-dihydroindol-1-yliminomethyl)-1-benzofuran-2-yl]ethylideneamino]-N-methylaniline
PubChem CID54078156
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC NameN-[1-[5-(2,3-dihydroindol-1-yliminomethyl)-1-benzofuran-2-yl]ethylideneamino]-N-methylaniline
SMILESCC(=NN(C)c1ccccc1)c1cc2cc(C=NN3CCc4ccccc43)ccc2o1
InChIInChI=1S/C26H24N4O/c1-19(28-29(2)23-9-4-3-5-10-23)26-17-22-16-20(12-13-25(22)31-26)18-27-30-15-14-21-8-6-7-11-24(21)30/h3-13,16-18H,14-15H2,1-2H3
InChIKeyMLDYDHLARMNVJT-UHFFFAOYSA-N
XLogP5.69
TPSA44.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(Benzofuran-2-yl)-3-(4-methoxyphenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazole
CID 483981
N-phenyl-N-[(E)-[2-[(Z)-N-(N-phenylanilino)-C-(trifluoromethyl)carbonimidoyl]-1-benzofuran-5-yl]methylideneamino]aniline
CID 20641028
(E)-N-(3,4-dihydro-2H-quinolin-1-yl)-1-[5-[(E)-3,4-dihydro-2H-quinolin-1-yliminomethyl]-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine
CID 20641031
(E)-N-(9H-acridin-10-yl)-1-[5-[(E)-9H-acridin-10-yliminomethyl]-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine
CID 20641035
(E)-N-carbazol-9-yl-1-[5-[(E)-carbazol-9-yliminomethyl]-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine
CID 20641036
N-[(E)-[1-[5-[(E)-[ethyl(phenyl)hydrazinylidene]methyl]-1-benzofuran-2-yl]-3,3,3-trifluoropropylidene]amino]-N-methylaniline
CID 20641041
N-methyl-N-[(E)-[2-[(Z)-N-(N-methylanilino)-C-(trifluoromethyl)carbonimidoyl]-1-benzofuran-5-yl]methylideneamino]aniline
CID 20641048
N-(3,4-dihydro-2H-quinolin-1-yl)-1-[5-(3,4-dihydro-2H-quinolin-1-yliminomethyl)-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine
CID 53746456
N-methyl-N-[[2-[N-(N-methylanilino)-C-(trifluoromethyl)carbonimidoyl]-1-benzofuran-5-yl]methylideneamino]aniline
CID 53822886
N-phenyl-N-[[2-[N-(N-phenylanilino)-C-(trifluoromethyl)carbonimidoyl]-1-benzofuran-5-yl]methylideneamino]aniline
CID 53957015
N-(9H-acridin-10-yl)-1-[5-(9H-acridin-10-yliminomethyl)-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine
CID 73691602
N-carbazol-9-yl-1-[5-(carbazol-9-yliminomethyl)-1-benzofuran-2-yl]-2,2,2-trifluoroethanimine
CID 73691603

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(2,3-dihydroindol-1-yliminomethyl)-1-benzofuran-2-yl]ethylideneamino]-N-methylaniline?
The IUPAC name of N-[1-[5-(2,3-dihydroindol-1-yliminomethyl)-1-benzofuran-2-yl]ethylideneamino]-N-methylaniline (CID 54078156) is N-[1-[5-(2,3-dihydroindol-1-yliminomethyl)-1-benzofuran-2-yl]ethylideneamino]-N-methylaniline.
What is the SMILES notation for N-[1-[5-(2,3-dihydroindol-1-yliminomethyl)-1-benzofuran-2-yl]ethylideneamino]-N-methylaniline?
The canonical SMILES for N-[1-[5-(2,3-dihydroindol-1-yliminomethyl)-1-benzofuran-2-yl]ethylideneamino]-N-methylaniline is CC(=NN(C)c1ccccc1)c1cc2cc(C=NN3CCc4ccccc43)ccc2o1.
What is the InChIKey of N-[1-[5-(2,3-dihydroindol-1-yliminomethyl)-1-benzofuran-2-yl]ethylideneamino]-N-methylaniline?
The InChIKey is MLDYDHLARMNVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O/c1-19(28-29(2)23-9-4-3-5-10-23)26-17-22-16-20(12-13-25(22)31-26)18-27-30-15-14-21-8-6-7-11-24(21)30/h3-13,16-18H,14-15H2,1-2H3.
What are the key properties of N-[1-[5-(2,3-dihydroindol-1-yliminomethyl)-1-benzofuran-2-yl]ethylideneamino]-N-methylaniline?
N-[1-[5-(2,3-dihydroindol-1-yliminomethyl)-1-benzofuran-2-yl]ethylideneamino]-N-methylaniline has a molecular weight of 408.51 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(2,3-dihydroindol-1-yliminomethyl)-1-benzofuran-2-yl]ethylideneamino]-N-methylaniline is sourced from PubChem (CID 54078156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).