3-benzyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide

C23H28N4 — CID 111724485

IUPAC3-benzyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(/NCCc1c[nH]c2ccccc12)N1CCC(Cc2ccccc2)C1
InChIInChI=1S/C23H28N4/c1-24-23(25-13-11-20-16-26-22-10-6-5-9-21(20)22)27-14-12-19(17-27)15-18-7-3-2-4-8-18/h2-10,16,19,26H,11-15,17H2,1H3,(H,24,25)
InChIKeyMSCVGVSXUGLSEJ-UHFFFAOYSA-N
MW360.51 g/mol
LogP3.85
Rot. Bonds5

About 3-benzyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide

3-benzyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide (PubChem CID 111724485) has the molecular formula C23H28N4 and a molecular weight of 360.51 g/mol. Its IUPAC name is 3-benzyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name3-benzyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide
PubChem CID111724485
Molecular FormulaC23H28N4
Molecular Weight360.51 g/mol
Exact Mass360.23
IUPAC Name3-benzyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(/NCCc1c[nH]c2ccccc12)N1CCC(Cc2ccccc2)C1
InChIInChI=1S/C23H28N4/c1-24-23(25-13-11-20-16-26-22-10-6-5-9-21(20)22)27-14-12-19(17-27)15-18-7-3-2-4-8-18/h2-10,16,19,26H,11-15,17H2,1H3,(H,24,25)
InChIKeyMSCVGVSXUGLSEJ-UHFFFAOYSA-N
XLogP3.85
TPSA43.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-benzyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide 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

N-[2-(1H-indol-3-yl)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153494
N-[3-(1H-indol-3-yl)propyl]-N'-methyl-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboximidamide
CID 111985345
N-[2-(1H-indol-3-yl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111725817
N-[2-[[C-(3-benzylpyrrolidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-2-methylpropanamide
CID 111724827
3-benzyl-N-(2-methoxyethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111725187
tert-butyl N-[1-[N-[2-(1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111728903
N'-methyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111527226
N-[3-(1H-indol-3-yl)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109427030
3-benzyl-N'-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-1-carboximidamide
CID 111724653
N-[2-(1H-indol-3-yl)ethyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205635
N-[3-(1H-indol-3-yl)propyl]-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111984736
N-[2-(benzenesulfonamido)ethyl]-3-benzyl-N'-methylpyrrolidine-1-carboximidamide
CID 111724699

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide?
The IUPAC name of 3-benzyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide (CID 111724485) is 3-benzyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide.
What is the SMILES notation for 3-benzyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide?
The canonical SMILES for 3-benzyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide is C/N=C(/NCCc1c[nH]c2ccccc12)N1CCC(Cc2ccccc2)C1.
What is the InChIKey of 3-benzyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide?
The InChIKey is MSCVGVSXUGLSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4/c1-24-23(25-13-11-20-16-26-22-10-6-5-9-21(20)22)27-14-12-19(17-27)15-18-7-3-2-4-8-18/h2-10,16,19,26H,11-15,17H2,1H3,(H,24,25).
What are the key properties of 3-benzyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide?
3-benzyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide has a molecular weight of 360.51 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111724485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).