1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine

C21H18N2O — CID 144937875

IUPAC1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine
SMILES[H]/N=C(/Cc1ccccc1C)c1cn(-c2ccco2)c2ccccc12
InChIInChI=1S/C21H18N2O/c1-15-7-2-3-8-16(15)13-19(22)18-14-23(21-11-6-12-24-21)20-10-5-4-9-17(18)20/h2-12,14,22H,13H2,1H3/b22-19-
InChIKeyGIIZPGXTOSDZRP-QOCHGBHMSA-N
MW314.39 g/mol
LogP5.14
Rot. Bonds4

About 1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine

1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine (PubChem CID 144937875) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine.

Molecular Properties

Compound Name1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine
PubChem CID144937875
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine
SMILES[H]/N=C(/Cc1ccccc1C)c1cn(-c2ccco2)c2ccccc12
InChIInChI=1S/C21H18N2O/c1-15-7-2-3-8-16(15)13-19(22)18-14-23(21-11-6-12-24-21)20-10-5-4-9-17(18)20/h2-12,14,22H,13H2,1H3/b22-19-
InChIKeyGIIZPGXTOSDZRP-QOCHGBHMSA-N
XLogP5.14
TPSA41.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.39
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine;propanoic acid
CID 144937970
benzoic acid;1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine
CID 145261102
benzoic acid;1-[1-(furan-2-yl)indol-3-yl]ethanimine
CID 144937936
1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine
CID 144937853
1-(1,5-dimethylindol-3-yl)-2-(2-methylphenyl)ethanimine
CID 144937869
1-(5-ethoxy-1-phenylindol-3-yl)-2-(2-methylphenyl)ethanimine
CID 144937984
acetic acid;1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine
CID 145261116
acetic acid;N,N,1-trimethyl-3-[2-(2-methylphenyl)ethanimidoyl]indol-5-amine
CID 144937830
9-[(2-methylphenyl)methyl]carbazole-3-carboximidamide
CID 142911316
N,N-dimethyl-2-(2-methylphenyl)ethanimidamide
CID 63179558
2-(furan-2-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 110690604
1,2-bis(2-fluorophenyl)ethanimine
CID 140970160

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine?
The IUPAC name of 1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine (CID 144937875) is 1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine.
What is the SMILES notation for 1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine?
The canonical SMILES for 1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine is [H]/N=C(/Cc1ccccc1C)c1cn(-c2ccco2)c2ccccc12.
What is the InChIKey of 1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine?
The InChIKey is GIIZPGXTOSDZRP-QOCHGBHMSA-N. The full InChI is InChI=1S/C21H18N2O/c1-15-7-2-3-8-16(15)13-19(22)18-14-23(21-11-6-12-24-21)20-10-5-4-9-17(18)20/h2-12,14,22H,13H2,1H3/b22-19-.
What are the key properties of 1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine?
1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine has a molecular weight of 314.39 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine is sourced from PubChem (CID 144937875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).