N'-[2-[(E)-2-phenylethenyl]-1-benzofuran-5-yl]ethanimidamide

C18H16N2O — CID 23085673

IUPACN'-[2-[(E)-2-phenylethenyl]-1-benzofuran-5-yl]ethanimidamide
SMILESC/C(N)=N\c1ccc2oc(/C=C/c3ccccc3)cc2c1
InChIInChI=1S/C18H16N2O/c1-13(19)20-16-8-10-18-15(11-16)12-17(21-18)9-7-14-5-3-2-4-6-14/h2-12H,1H3,(H2,19,20)/b9-7+
InChIKeyGJYYQTARASUALF-VQHVLOKHSA-N
MW276.34 g/mol
LogP4.61
Rot. Bonds3

About N'-[2-[(E)-2-phenylethenyl]-1-benzofuran-5-yl]ethanimidamide

N'-[2-[(E)-2-phenylethenyl]-1-benzofuran-5-yl]ethanimidamide (PubChem CID 23085673) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is N'-[2-[(E)-2-phenylethenyl]-1-benzofuran-5-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[2-[(E)-2-phenylethenyl]-1-benzofuran-5-yl]ethanimidamide
PubChem CID23085673
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC NameN'-[2-[(E)-2-phenylethenyl]-1-benzofuran-5-yl]ethanimidamide
SMILESC/C(N)=N\c1ccc2oc(/C=C/c3ccccc3)cc2c1
InChIInChI=1S/C18H16N2O/c1-13(19)20-16-8-10-18-15(11-16)12-17(21-18)9-7-14-5-3-2-4-6-14/h2-12H,1H3,(H2,19,20)/b9-7+
InChIKeyGJYYQTARASUALF-VQHVLOKHSA-N
XLogP4.61
TPSA51.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.61
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

2-Dibenzofuranamine
CID 19405
4-(1-Benzofuran-2-yl)aniline
CID 720692
2-Phenyl-1-benzofuran-7-amine
CID 12064788
Dibenzofuran-2,8-diamine
CID 458865
1-Benzofuran-5-amine
CID 1477152
N'-[4-(5-phenylfuran-2-yl)phenyl]ethanimidamide;hydrobromide
CID 145970854
2-[4-[5-[4-(Diaminomethylideneamino)-2-methylphenyl]furan-2-yl]-3-methylphenyl]guanidine
CID 487974
Acetamide, N-2-dibenzofuranyl-
CID 603364
2,3-Dimethyl-1-benzofuran-5-amine
CID 12445383
5-Benzofurancarboximidamide, 2-(4-aminophenyl)-
CID 47976
Dibenzofuran-2,7-diamine
CID 458866
2,5-bis[4-(Acetimidoyl)aminophenyl]furan
CID 472816

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(E)-2-phenylethenyl]-1-benzofuran-5-yl]ethanimidamide?
The IUPAC name of N'-[2-[(E)-2-phenylethenyl]-1-benzofuran-5-yl]ethanimidamide (CID 23085673) is N'-[2-[(E)-2-phenylethenyl]-1-benzofuran-5-yl]ethanimidamide.
What is the SMILES notation for N'-[2-[(E)-2-phenylethenyl]-1-benzofuran-5-yl]ethanimidamide?
The canonical SMILES for N'-[2-[(E)-2-phenylethenyl]-1-benzofuran-5-yl]ethanimidamide is C/C(N)=N\c1ccc2oc(/C=C/c3ccccc3)cc2c1.
What is the InChIKey of N'-[2-[(E)-2-phenylethenyl]-1-benzofuran-5-yl]ethanimidamide?
The InChIKey is GJYYQTARASUALF-VQHVLOKHSA-N. The full InChI is InChI=1S/C18H16N2O/c1-13(19)20-16-8-10-18-15(11-16)12-17(21-18)9-7-14-5-3-2-4-6-14/h2-12H,1H3,(H2,19,20)/b9-7+.
What are the key properties of N'-[2-[(E)-2-phenylethenyl]-1-benzofuran-5-yl]ethanimidamide?
N'-[2-[(E)-2-phenylethenyl]-1-benzofuran-5-yl]ethanimidamide has a molecular weight of 276.34 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(E)-2-phenylethenyl]-1-benzofuran-5-yl]ethanimidamide is sourced from PubChem (CID 23085673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).