N'-(2-phenyl-1-benzofuran-5-yl)ethanimidamide

C16H14N2O — CID 11402453

IUPACN'-(2-phenyl-1-benzofuran-5-yl)ethanimidamide
SMILESC/C(N)=N\c1ccc2oc(-c3ccccc3)cc2c1
InChIInChI=1S/C16H14N2O/c1-11(17)18-14-7-8-15-13(9-14)10-16(19-15)12-5-3-2-4-6-12/h2-10H,1H3,(H2,17,18)
InChIKeyYEIDMOBXRRHXEG-UHFFFAOYSA-N
MW250.30 g/mol
LogP4.11
Rot. Bonds2

About N'-(2-phenyl-1-benzofuran-5-yl)ethanimidamide

N'-(2-phenyl-1-benzofuran-5-yl)ethanimidamide (PubChem CID 11402453) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is N'-(2-phenyl-1-benzofuran-5-yl)ethanimidamide.

Molecular Properties

Compound NameN'-(2-phenyl-1-benzofuran-5-yl)ethanimidamide
PubChem CID11402453
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC NameN'-(2-phenyl-1-benzofuran-5-yl)ethanimidamide
SMILESC/C(N)=N\c1ccc2oc(-c3ccccc3)cc2c1
InChIInChI=1S/C16H14N2O/c1-11(17)18-14-7-8-15-13(9-14)10-16(19-15)12-5-3-2-4-6-12/h2-10H,1H3,(H2,17,18)
InChIKeyYEIDMOBXRRHXEG-UHFFFAOYSA-N
XLogP4.11
TPSA51.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

CID 19405
CID 19405
CID 11098310
CID 11098310
CID 459351
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CID 720692
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CID 12064788
CID 12064788
CID 458865
CID 458865
CID 1477152
CID 1477152
CID 145970854
CID 145970854
CID 487974
CID 487974
CID 603364
CID 603364
CID 12445383
CID 12445383
CID 47976
CID 47976

Frequently Asked Questions

What is the IUPAC name of N'-(2-phenyl-1-benzofuran-5-yl)ethanimidamide?
The IUPAC name of N'-(2-phenyl-1-benzofuran-5-yl)ethanimidamide (CID 11402453) is N'-(2-phenyl-1-benzofuran-5-yl)ethanimidamide.
What is the SMILES notation for N'-(2-phenyl-1-benzofuran-5-yl)ethanimidamide?
The canonical SMILES for N'-(2-phenyl-1-benzofuran-5-yl)ethanimidamide is C/C(N)=N\c1ccc2oc(-c3ccccc3)cc2c1.
What is the InChIKey of N'-(2-phenyl-1-benzofuran-5-yl)ethanimidamide?
The InChIKey is YEIDMOBXRRHXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11(17)18-14-7-8-15-13(9-14)10-16(19-15)12-5-3-2-4-6-12/h2-10H,1H3,(H2,17,18).
What are the key properties of N'-(2-phenyl-1-benzofuran-5-yl)ethanimidamide?
N'-(2-phenyl-1-benzofuran-5-yl)ethanimidamide has a molecular weight of 250.30 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-phenyl-1-benzofuran-5-yl)ethanimidamide is sourced from PubChem (CID 11402453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).