2-(2,3-dihydroindol-1-yl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone

C22H22N2O — CID 110654776

IUPAC2-(2,3-dihydroindol-1-yl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)CN2CCc3ccccc32)c(C)n1-c1ccccc1
InChIInChI=1S/C22H22N2O/c1-16-14-20(17(2)24(16)19-9-4-3-5-10-19)22(25)15-23-13-12-18-8-6-7-11-21(18)23/h3-11,14H,12-13,15H2,1-2H3
InChIKeyZACHBYIHEHFZGB-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.34
Rot. Bonds4

About 2-(2,3-dihydroindol-1-yl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone

2-(2,3-dihydroindol-1-yl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone (PubChem CID 110654776) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone
PubChem CID110654776
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name2-(2,3-dihydroindol-1-yl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)CN2CCc3ccccc32)c(C)n1-c1ccccc1
InChIInChI=1S/C22H22N2O/c1-16-14-20(17(2)24(16)19-9-4-3-5-10-19)22(25)15-23-13-12-18-8-6-7-11-21(18)23/h3-11,14H,12-13,15H2,1-2H3
InChIKeyZACHBYIHEHFZGB-UHFFFAOYSA-N
XLogP4.34
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Analyze 2-(2,3-dihydroindol-1-yl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone 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-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-(2,3-dihydroindol-1-yl)ethanone
CID 110655143
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 3887060
2-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone
CID 8717211
1-[4-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110659419
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone
CID 31931671
4-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 110659385
2-(2,3-dihydroindol-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43228012
1-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone
CID 53355380
1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 45017241
2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone
CID 110659368
2-(2,3-dihydroindol-1-yl)acetate
CID 6935608
2-(2,3-dihydroindol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 51284947

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone (CID 110654776) is 2-(2,3-dihydroindol-1-yl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone is Cc1cc(C(=O)CN2CCc3ccccc32)c(C)n1-c1ccccc1.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone?
The InChIKey is ZACHBYIHEHFZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-16-14-20(17(2)24(16)19-9-4-3-5-10-19)22(25)15-23-13-12-18-8-6-7-11-21(18)23/h3-11,14H,12-13,15H2,1-2H3.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone?
2-(2,3-dihydroindol-1-yl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone has a molecular weight of 330.43 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone is sourced from PubChem (CID 110654776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).