phenyl-(1-phenylindol-3-yl)methanimine;propanoic acid

C24H22N2O2 — CID 144937942

IUPACphenyl-(1-phenylindol-3-yl)methanimine;propanoic acid
SMILESCCC(=O)O.[H]/N=C(\c1ccccc1)c1cn(-c2ccccc2)c2ccccc12
InChIInChI=1S/C21H16N2.C3H6O2/c22-21(16-9-3-1-4-10-16)19-15-23(17-11-5-2-6-12-17)20-14-8-7-13-18(19)20;1-2-3(4)5/h1-15,22H;2H2,1H3,(H,4,5)/b22-21+;
InChIKeyFROLORTYMVASNO-QUABFQRHSA-N
MW370.45 g/mol
LogP5.53
Rot. Bonds4

About phenyl-(1-phenylindol-3-yl)methanimine;propanoic acid

phenyl-(1-phenylindol-3-yl)methanimine;propanoic acid (PubChem CID 144937942) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is phenyl-(1-phenylindol-3-yl)methanimine;propanoic acid.

Molecular Properties

Compound Namephenyl-(1-phenylindol-3-yl)methanimine;propanoic acid
PubChem CID144937942
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Namephenyl-(1-phenylindol-3-yl)methanimine;propanoic acid
SMILESCCC(=O)O.[H]/N=C(\c1ccccc1)c1cn(-c2ccccc2)c2ccccc12
InChIInChI=1S/C21H16N2.C3H6O2/c22-21(16-9-3-1-4-10-16)19-15-23(17-11-5-2-6-12-17)20-14-8-7-13-18(19)20;1-2-3(4)5/h1-15,22H;2H2,1H3,(H,4,5)/b22-21+;
InChIKeyFROLORTYMVASNO-QUABFQRHSA-N
XLogP5.53
TPSA66.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze phenyl-(1-phenylindol-3-yl)methanimine;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

acetic acid;phenyl-(1-thiophen-2-ylindol-3-yl)methanimine
CID 144937891
[4-(3-ethanimidoylindol-1-yl)phenyl]-phenylmethanone
CID 144937847
phenyl-(1-thiophen-2-ylindol-3-yl)methanimine
CID 144937892
2-(3-ethanimidoylindol-1-yl)benzonitrile;propanoic acid
CID 145261087
naphthalen-1-yl-(1-phenylindol-3-yl)methanone
CID 175269480
1-[4-(N'-diazenylcarbamimidoyl)phenyl]indole-3-carboxamide
CID 163898338
acetic acid;ethane;4-(3-heptanimidoylindol-1-yl)aniline
CID 145376529
1-phenyl-N-(1-phenylpropyl)indole-3-carboxamide
CID 10808048
1-(1-benzylindol-3-yl)ethanimine;propanoic acid
CID 144937842
1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine;propanoic acid
CID 144937970
benzenecarboximidamide;propanoic acid
CID 159833627
benzoic acid;1-[1-(furan-2-yl)indol-3-yl]ethanimine
CID 144937936

Frequently Asked Questions

What is the IUPAC name of phenyl-(1-phenylindol-3-yl)methanimine;propanoic acid?
The IUPAC name of phenyl-(1-phenylindol-3-yl)methanimine;propanoic acid (CID 144937942) is phenyl-(1-phenylindol-3-yl)methanimine;propanoic acid.
What is the SMILES notation for phenyl-(1-phenylindol-3-yl)methanimine;propanoic acid?
The canonical SMILES for phenyl-(1-phenylindol-3-yl)methanimine;propanoic acid is CCC(=O)O.[H]/N=C(\c1ccccc1)c1cn(-c2ccccc2)c2ccccc12.
What is the InChIKey of phenyl-(1-phenylindol-3-yl)methanimine;propanoic acid?
The InChIKey is FROLORTYMVASNO-QUABFQRHSA-N. The full InChI is InChI=1S/C21H16N2.C3H6O2/c22-21(16-9-3-1-4-10-16)19-15-23(17-11-5-2-6-12-17)20-14-8-7-13-18(19)20;1-2-3(4)5/h1-15,22H;2H2,1H3,(H,4,5)/b22-21+;.
What are the key properties of phenyl-(1-phenylindol-3-yl)methanimine;propanoic acid?
phenyl-(1-phenylindol-3-yl)methanimine;propanoic acid has a molecular weight of 370.45 g/mol, XLogP of 5.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(1-phenylindol-3-yl)methanimine;propanoic acid is sourced from PubChem (CID 144937942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).