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

C28H24N2O3 — CID 145261102

IUPACbenzoic acid;1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine
SMILESO=C(O)c1ccccc1.[H]/N=C(/Cc1ccccc1C)c1cn(-c2ccco2)c2ccccc12
InChIInChI=1S/C21H18N2O.C7H6O2/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;8-7(9)6-4-2-1-3-5-6/h2-12,14,22H,13H2,1H3;1-5H,(H,8,9)/b22-19-;
InChIKeyAMGFNYDHPIWNMY-GXTSIBQPSA-N
MW436.51 g/mol
LogP6.53
Rot. Bonds5

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

benzoic acid;1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine (PubChem CID 145261102) has the molecular formula C28H24N2O3 and a molecular weight of 436.51 g/mol. Its IUPAC name is benzoic acid;1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine.

Molecular Properties

Compound Namebenzoic acid;1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine
PubChem CID145261102
Molecular FormulaC28H24N2O3
Molecular Weight436.51 g/mol
Exact Mass436.18
IUPAC Namebenzoic acid;1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine
SMILESO=C(O)c1ccccc1.[H]/N=C(/Cc1ccccc1C)c1cn(-c2ccco2)c2ccccc12
InChIInChI=1S/C21H18N2O.C7H6O2/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;8-7(9)6-4-2-1-3-5-6/h2-12,14,22H,13H2,1H3;1-5H,(H,8,9)/b22-19-;
InChIKeyAMGFNYDHPIWNMY-GXTSIBQPSA-N
XLogP6.53
TPSA79.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
CID 144937875
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]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
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
phenyl-(1-phenylindol-3-yl)methanimine;propanoic acid
CID 144937942
[4-(3-ethanimidoylindol-1-yl)phenyl]-phenylmethanone
CID 144937847
[(E)-[1-[1-(4-benzoylphenyl)indol-3-yl]-3-(2-methylphenyl)-1-oxopropan-2-ylidene]amino] benzoate
CID 137469275
2-(furan-2-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 110690604

Frequently Asked Questions

What is the IUPAC name of benzoic acid;1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine?
The IUPAC name of benzoic acid;1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine (CID 145261102) is benzoic acid;1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine.
What is the SMILES notation for benzoic acid;1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine?
The canonical SMILES for benzoic acid;1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine is O=C(O)c1ccccc1.[H]/N=C(/Cc1ccccc1C)c1cn(-c2ccco2)c2ccccc12.
What is the InChIKey of benzoic acid;1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine?
The InChIKey is AMGFNYDHPIWNMY-GXTSIBQPSA-N. The full InChI is InChI=1S/C21H18N2O.C7H6O2/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;8-7(9)6-4-2-1-3-5-6/h2-12,14,22H,13H2,1H3;1-5H,(H,8,9)/b22-19-;.
What are the key properties of benzoic acid;1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine?
benzoic acid;1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine has a molecular weight of 436.51 g/mol, XLogP of 6.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine is sourced from PubChem (CID 145261102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).