1-[3-(C-methyl-N-phenylcarbonimidoyl)-2-benzofuran-1-yl]-N-phenylethanimine

C24H20N2O — CID 90442429

IUPAC1-[3-(C-methyl-N-phenylcarbonimidoyl)-2-benzofuran-1-yl]-N-phenylethanimine
SMILESC/C(=N\c1ccccc1)c1oc(/C(C)=N/c2ccccc2)c2ccccc12
InChIInChI=1S/C24H20N2O/c1-17(25-19-11-5-3-6-12-19)23-21-15-9-10-16-22(21)24(27-23)18(2)26-20-13-7-4-8-14-20/h3-16H,1-2H3/b25-17+,26-18+
InChIKeyANJYZGLCQYYKQJ-RPCRKUJJSA-N
MW352.44 g/mol
LogP6.71
Rot. Bonds4

About 1-[3-(C-methyl-N-phenylcarbonimidoyl)-2-benzofuran-1-yl]-N-phenylethanimine

1-[3-(C-methyl-N-phenylcarbonimidoyl)-2-benzofuran-1-yl]-N-phenylethanimine (PubChem CID 90442429) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[3-(C-methyl-N-phenylcarbonimidoyl)-2-benzofuran-1-yl]-N-phenylethanimine.

Molecular Properties

Compound Name1-[3-(C-methyl-N-phenylcarbonimidoyl)-2-benzofuran-1-yl]-N-phenylethanimine
PubChem CID90442429
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name1-[3-(C-methyl-N-phenylcarbonimidoyl)-2-benzofuran-1-yl]-N-phenylethanimine
SMILESC/C(=N\c1ccccc1)c1oc(/C(C)=N/c2ccccc2)c2ccccc12
InChIInChI=1S/C24H20N2O/c1-17(25-19-11-5-3-6-12-19)23-21-15-9-10-16-22(21)24(27-23)18(2)26-20-13-7-4-8-14-20/h3-16H,1-2H3/b25-17+,26-18+
InChIKeyANJYZGLCQYYKQJ-RPCRKUJJSA-N
XLogP6.71
TPSA37.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(C-methyl-N-phenylcarbonimidoyl)-2-benzofuran-1-yl]-N-phenylethanimine?
The IUPAC name of 1-[3-(C-methyl-N-phenylcarbonimidoyl)-2-benzofuran-1-yl]-N-phenylethanimine (CID 90442429) is 1-[3-(C-methyl-N-phenylcarbonimidoyl)-2-benzofuran-1-yl]-N-phenylethanimine.
What is the SMILES notation for 1-[3-(C-methyl-N-phenylcarbonimidoyl)-2-benzofuran-1-yl]-N-phenylethanimine?
The canonical SMILES for 1-[3-(C-methyl-N-phenylcarbonimidoyl)-2-benzofuran-1-yl]-N-phenylethanimine is C/C(=N\c1ccccc1)c1oc(/C(C)=N/c2ccccc2)c2ccccc12.
What is the InChIKey of 1-[3-(C-methyl-N-phenylcarbonimidoyl)-2-benzofuran-1-yl]-N-phenylethanimine?
The InChIKey is ANJYZGLCQYYKQJ-RPCRKUJJSA-N. The full InChI is InChI=1S/C24H20N2O/c1-17(25-19-11-5-3-6-12-19)23-21-15-9-10-16-22(21)24(27-23)18(2)26-20-13-7-4-8-14-20/h3-16H,1-2H3/b25-17+,26-18+.
What are the key properties of 1-[3-(C-methyl-N-phenylcarbonimidoyl)-2-benzofuran-1-yl]-N-phenylethanimine?
1-[3-(C-methyl-N-phenylcarbonimidoyl)-2-benzofuran-1-yl]-N-phenylethanimine has a molecular weight of 352.44 g/mol, XLogP of 6.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(C-methyl-N-phenylcarbonimidoyl)-2-benzofuran-1-yl]-N-phenylethanimine is sourced from PubChem (CID 90442429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).