1-(1-benzylindol-3-yl)ethanimine;propanoic acid

C20H22N2O2 — CID 144937842

IUPAC1-(1-benzylindol-3-yl)ethanimine;propanoic acid
SMILESCCC(=O)O.[H]/N=C(\C)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C17H16N2.C3H6O2/c1-13(18)16-12-19(11-14-7-3-2-4-8-14)17-10-6-5-9-15(16)17;1-2-3(4)5/h2-10,12,18H,11H2,1H3;2H2,1H3,(H,4,5)/b18-13+;
InChIKeyCKDLHGYNUAJHTO-PUBYZPQMSA-N
MW322.41 g/mol
LogP4.56
Rot. Bonds4

About 1-(1-benzylindol-3-yl)ethanimine;propanoic acid

1-(1-benzylindol-3-yl)ethanimine;propanoic acid (PubChem CID 144937842) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(1-benzylindol-3-yl)ethanimine;propanoic acid.

Molecular Properties

Compound Name1-(1-benzylindol-3-yl)ethanimine;propanoic acid
PubChem CID144937842
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-(1-benzylindol-3-yl)ethanimine;propanoic acid
SMILESCCC(=O)O.[H]/N=C(\C)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C17H16N2.C3H6O2/c1-13(18)16-12-19(11-14-7-3-2-4-8-14)17-10-6-5-9-15(16)17;1-2-3(4)5/h2-10,12,18H,11H2,1H3;2H2,1H3,(H,4,5)/b18-13+;
InChIKeyCKDLHGYNUAJHTO-PUBYZPQMSA-N
XLogP4.56
TPSA66.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1-benzylindol-3-yl)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

2-(3-ethanimidoylindol-1-yl)benzonitrile;propanoic acid
CID 145261087
1-benzyl-N-propylindole-3-carboxamide
CID 24654500
1-[1-[(4-fluorophenyl)methyl]indol-3-yl]propan-1-one
CID 955251
1-benzyl-N-methyl-N-phenylindole-3-carboxamide
CID 26719094
(2,3,4,5,6-pentafluorophenyl) 1-benzylindole-3-carboxylate
CID 16681599
(1-benzylindol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 10735404
1-benzyl-N-prop-2-ynylindole-3-carboxamide
CID 32985636
4-[(3-propanoylindol-1-yl)methyl]benzonitrile
CID 955249
ethyl (E)-4-(1-benzylindol-3-yl)-4-hydroxy-2-oxobut-3-enoate
CID 20846074
2-(1-benzyl-4-oxoquinolin-3-yl)acetic acid
CID 45275194
4-(1-benzylindol-3-yl)but-3-en-2-one
CID 2775547
2-(dimethylamino)ethyl 1-benzylindole-3-carboxylate
CID 657635

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylindol-3-yl)ethanimine;propanoic acid?
The IUPAC name of 1-(1-benzylindol-3-yl)ethanimine;propanoic acid (CID 144937842) is 1-(1-benzylindol-3-yl)ethanimine;propanoic acid.
What is the SMILES notation for 1-(1-benzylindol-3-yl)ethanimine;propanoic acid?
The canonical SMILES for 1-(1-benzylindol-3-yl)ethanimine;propanoic acid is CCC(=O)O.[H]/N=C(\C)c1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-(1-benzylindol-3-yl)ethanimine;propanoic acid?
The InChIKey is CKDLHGYNUAJHTO-PUBYZPQMSA-N. The full InChI is InChI=1S/C17H16N2.C3H6O2/c1-13(18)16-12-19(11-14-7-3-2-4-8-14)17-10-6-5-9-15(16)17;1-2-3(4)5/h2-10,12,18H,11H2,1H3;2H2,1H3,(H,4,5)/b18-13+;.
What are the key properties of 1-(1-benzylindol-3-yl)ethanimine;propanoic acid?
1-(1-benzylindol-3-yl)ethanimine;propanoic acid has a molecular weight of 322.41 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylindol-3-yl)ethanimine;propanoic acid is sourced from PubChem (CID 144937842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).