N'-[2-(3-methoxyphenyl)-1-benzofuran-5-yl]ethanimidamide

C17H16N2O2 — CID 68543851

IUPACN'-[2-(3-methoxyphenyl)-1-benzofuran-5-yl]ethanimidamide
SMILESCOc1cccc(-c2cc3cc(/N=C(\C)N)ccc3o2)c1
InChIInChI=1S/C17H16N2O2/c1-11(18)19-14-6-7-16-13(8-14)10-17(21-16)12-4-3-5-15(9-12)20-2/h3-10H,1-2H3,(H2,18,19)
InChIKeyUZTJKYYAOKQXFN-UHFFFAOYSA-N
MW280.33 g/mol
LogP4.12
Rot. Bonds3

About N'-[2-(3-methoxyphenyl)-1-benzofuran-5-yl]ethanimidamide

N'-[2-(3-methoxyphenyl)-1-benzofuran-5-yl]ethanimidamide (PubChem CID 68543851) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N'-[2-(3-methoxyphenyl)-1-benzofuran-5-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[2-(3-methoxyphenyl)-1-benzofuran-5-yl]ethanimidamide
PubChem CID68543851
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN'-[2-(3-methoxyphenyl)-1-benzofuran-5-yl]ethanimidamide
SMILESCOc1cccc(-c2cc3cc(/N=C(\C)N)ccc3o2)c1
InChIInChI=1S/C17H16N2O2/c1-11(18)19-14-6-7-16-13(8-14)10-17(21-16)12-4-3-5-15(9-12)20-2/h3-10H,1-2H3,(H2,18,19)
InChIKeyUZTJKYYAOKQXFN-UHFFFAOYSA-N
XLogP4.12
TPSA60.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[2-(3-methoxyphenyl)-1-benzofuran-5-yl]propanoate
CID 23083078
(2S)-1-[[2-(3-methoxyphenyl)-1-benzofuran-5-yl]methyl]pyrrolidine-2-carboxamide
CID 171775448
N'-[3-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]ethanimidamide
CID 66845549
2-(4-methoxyphenyl)-5-phenyl-1-benzofuran
CID 66549379
1-(diaminomethylidene)-2-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]guanidine
CID 168604323
2-[5-(3-methoxyphenyl)-1-benzofuran-2-yl]-4,5-dihydro-1H-imidazole
CID 18476286
6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide
CID 4555471
5-methoxy-2-(4-nitrophenyl)-1-benzofuran
CID 11680584
5-(3-methoxyphenyl)-2,3-dimethylfuran
CID 70996763
2-[3-(4-phenoxybutoxy)phenyl]-N'-propan-2-yl-1-benzofuran-5-carboximidamide
CID 45268536
N'-propan-2-yl-2-[3-[3-[4-(N'-propan-2-ylcarbamimidoyl)phenoxy]propoxy]phenyl]-1-benzofuran-5-carboximidamide
CID 11752621
2-(4-methoxyphenyl)-1-benzofuran
CID 10727834

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methoxyphenyl)-1-benzofuran-5-yl]ethanimidamide?
The IUPAC name of N'-[2-(3-methoxyphenyl)-1-benzofuran-5-yl]ethanimidamide (CID 68543851) is N'-[2-(3-methoxyphenyl)-1-benzofuran-5-yl]ethanimidamide.
What is the SMILES notation for N'-[2-(3-methoxyphenyl)-1-benzofuran-5-yl]ethanimidamide?
The canonical SMILES for N'-[2-(3-methoxyphenyl)-1-benzofuran-5-yl]ethanimidamide is COc1cccc(-c2cc3cc(/N=C(\C)N)ccc3o2)c1.
What is the InChIKey of N'-[2-(3-methoxyphenyl)-1-benzofuran-5-yl]ethanimidamide?
The InChIKey is UZTJKYYAOKQXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11(18)19-14-6-7-16-13(8-14)10-17(21-16)12-4-3-5-15(9-12)20-2/h3-10H,1-2H3,(H2,18,19).
What are the key properties of N'-[2-(3-methoxyphenyl)-1-benzofuran-5-yl]ethanimidamide?
N'-[2-(3-methoxyphenyl)-1-benzofuran-5-yl]ethanimidamide has a molecular weight of 280.33 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methoxyphenyl)-1-benzofuran-5-yl]ethanimidamide is sourced from PubChem (CID 68543851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).