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

C24H24N2O3 — CID 144937970

IUPAC1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine;propanoic acid
SMILESCCC(=O)O.[H]/N=C(/Cc1ccccc1C)c1cn(-c2ccco2)c2ccccc12
InChIInChI=1S/C21H18N2O.C3H6O2/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;1-2-3(4)5/h2-12,14,22H,13H2,1H3;2H2,1H3,(H,4,5)/b22-19-;
InChIKeyXJWZARBTFKVIQX-GXTSIBQPSA-N
MW388.47 g/mol
LogP5.62
Rot. Bonds5

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

1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine;propanoic acid (PubChem CID 144937970) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine;propanoic acid.

Molecular Properties

Compound Name1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine;propanoic acid
PubChem CID144937970
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine;propanoic acid
SMILESCCC(=O)O.[H]/N=C(/Cc1ccccc1C)c1cn(-c2ccco2)c2ccccc12
InChIInChI=1S/C21H18N2O.C3H6O2/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;1-2-3(4)5/h2-12,14,22H,13H2,1H3;2H2,1H3,(H,4,5)/b22-19-;
InChIKeyXJWZARBTFKVIQX-GXTSIBQPSA-N
XLogP5.62
TPSA79.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine;propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine
CID 144937875
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
acetic acid;1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine
CID 145261116
1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine
CID 144937853
1-(5-ethoxy-1-phenylindol-3-yl)-2-(2-methylphenyl)ethanimine
CID 144937984
phenyl-(1-phenylindol-3-yl)methanimine;propanoic acid
CID 144937942
1-(1,5-dimethylindol-3-yl)-2-(2-methylphenyl)ethanimine
CID 144937869
acetic acid;N,N,1-trimethyl-3-[2-(2-methylphenyl)ethanimidoyl]indol-5-amine
CID 144937830
2-(3-ethanimidoylindol-1-yl)benzonitrile;propanoic acid
CID 145261087
2-(2-methylphenyl)acetic acid
CID 67440217
1-(1-benzylindol-3-yl)ethanimine;propanoic acid
CID 144937842

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine;propanoic acid?
The IUPAC name of 1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine;propanoic acid (CID 144937970) is 1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine;propanoic acid.
What is the SMILES notation for 1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine;propanoic acid?
The canonical SMILES for 1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine;propanoic acid is CCC(=O)O.[H]/N=C(/Cc1ccccc1C)c1cn(-c2ccco2)c2ccccc12.
What is the InChIKey of 1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine;propanoic acid?
The InChIKey is XJWZARBTFKVIQX-GXTSIBQPSA-N. The full InChI is InChI=1S/C21H18N2O.C3H6O2/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;1-2-3(4)5/h2-12,14,22H,13H2,1H3;2H2,1H3,(H,4,5)/b22-19-;.
What are the key properties of 1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine;propanoic acid?
1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine;propanoic acid has a molecular weight of 388.47 g/mol, XLogP of 5.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine;propanoic acid is sourced from PubChem (CID 144937970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).