2-(1-azidoethyl)-5-[2-(4-methoxyphenyl)ethyl]-1-benzofuran

C19H19N3O2 — CID 58047217

IUPAC2-(1-azidoethyl)-5-[2-(4-methoxyphenyl)ethyl]-1-benzofuran
SMILESCOc1ccc(CCc2ccc3oc(C(C)N=[N+]=[N-])cc3c2)cc1
InChIInChI=1S/C19H19N3O2/c1-13(21-22-20)19-12-16-11-15(7-10-18(16)24-19)4-3-14-5-8-17(23-2)9-6-14/h5-13H,3-4H2,1-2H3
InChIKeyIKMSSVMADTYVTD-UHFFFAOYSA-N
MW321.38 g/mol
LogP5.60
Rot. Bonds6

About 2-(1-azidoethyl)-5-[2-(4-methoxyphenyl)ethyl]-1-benzofuran

2-(1-azidoethyl)-5-[2-(4-methoxyphenyl)ethyl]-1-benzofuran (PubChem CID 58047217) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(1-azidoethyl)-5-[2-(4-methoxyphenyl)ethyl]-1-benzofuran.

Molecular Properties

Compound Name2-(1-azidoethyl)-5-[2-(4-methoxyphenyl)ethyl]-1-benzofuran
PubChem CID58047217
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-(1-azidoethyl)-5-[2-(4-methoxyphenyl)ethyl]-1-benzofuran
SMILESCOc1ccc(CCc2ccc3oc(C(C)N=[N+]=[N-])cc3c2)cc1
InChIInChI=1S/C19H19N3O2/c1-13(21-22-20)19-12-16-11-15(7-10-18(16)24-19)4-3-14-5-8-17(23-2)9-6-14/h5-13H,3-4H2,1-2H3
InChIKeyIKMSSVMADTYVTD-UHFFFAOYSA-N
XLogP5.60
TPSA71.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.38
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-(1-azidoethyl)-5-[2-(4-methoxyphenyl)ethyl]-1-benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-azidoethyl)-6-[2-[4-(trifluoromethoxy)phenyl]ethyl]-1-benzofuran
CID 58047062
5-[2-[2-(1-azidoethyl)-1-benzofuran-6-yl]ethyl]-2-ethoxypyridine
CID 58047564
ethyl 2-(1-azidoethyl)-1-benzofuran-5-carboxylate
CID 58047600
1-(1-azidoethyl)-4-methoxybenzene
CID 13330258
3-[2-[hydroxy-(4-methoxyphenyl)methyl]-1-benzofuran-5-yl]propan-1-ol
CID 170887613
1-(5-propyl-1-benzofuran-2-yl)ethanamine
CID 65439611
1-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 65447175
1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]-2-methylpropan-1-amine
CID 65439652
N-ethyl-1-[5-(2-methoxyethyl)-1-benzofuran-2-yl]ethanamine
CID 65438441
2-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-benzofuran
CID 63542413
2-[5-(2-hydroxyethyl)-1-benzofuran-2-yl]-5-methoxyphenol
CID 141202465
1-[6-[2-(4-ethoxyphenyl)ethyl]-1-benzofuran-2-yl]-N-methylethanamine
CID 143982625

Frequently Asked Questions

What is the IUPAC name of 2-(1-azidoethyl)-5-[2-(4-methoxyphenyl)ethyl]-1-benzofuran?
The IUPAC name of 2-(1-azidoethyl)-5-[2-(4-methoxyphenyl)ethyl]-1-benzofuran (CID 58047217) is 2-(1-azidoethyl)-5-[2-(4-methoxyphenyl)ethyl]-1-benzofuran.
What is the SMILES notation for 2-(1-azidoethyl)-5-[2-(4-methoxyphenyl)ethyl]-1-benzofuran?
The canonical SMILES for 2-(1-azidoethyl)-5-[2-(4-methoxyphenyl)ethyl]-1-benzofuran is COc1ccc(CCc2ccc3oc(C(C)N=[N+]=[N-])cc3c2)cc1.
What is the InChIKey of 2-(1-azidoethyl)-5-[2-(4-methoxyphenyl)ethyl]-1-benzofuran?
The InChIKey is IKMSSVMADTYVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13(21-22-20)19-12-16-11-15(7-10-18(16)24-19)4-3-14-5-8-17(23-2)9-6-14/h5-13H,3-4H2,1-2H3.
What are the key properties of 2-(1-azidoethyl)-5-[2-(4-methoxyphenyl)ethyl]-1-benzofuran?
2-(1-azidoethyl)-5-[2-(4-methoxyphenyl)ethyl]-1-benzofuran has a molecular weight of 321.38 g/mol, XLogP of 5.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azidoethyl)-5-[2-(4-methoxyphenyl)ethyl]-1-benzofuran is sourced from PubChem (CID 58047217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).