1-(4-ethylphenyl)-2-[3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]ethanone

C23H25N2O+ — CID 2004305

IUPAC1-(4-ethylphenyl)-2-[3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]ethanone
SMILESCCc1ccc(C(=O)C[n+]2cc(-c3ccc(C)cc3)n3c2CCC3)cc1
InChIInChI=1S/C23H25N2O/c1-3-18-8-12-20(13-9-18)22(26)16-24-15-21(25-14-4-5-23(24)25)19-10-6-17(2)7-11-19/h6-13,15H,3-5,14,16H2,1-2H3/q+1
InChIKeyVIXBIDYMEMDEAB-UHFFFAOYSA-N
MW345.47 g/mol
LogP4.14
Rot. Bonds5

About 1-(4-ethylphenyl)-2-[3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]ethanone

1-(4-ethylphenyl)-2-[3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]ethanone (PubChem CID 2004305) has the molecular formula C23H25N2O+ and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-[3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-[3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]ethanone
PubChem CID2004305
Molecular FormulaC23H25N2O+
Molecular Weight345.47 g/mol
Exact Mass345.20
IUPAC Name1-(4-ethylphenyl)-2-[3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]ethanone
SMILESCCc1ccc(C(=O)C[n+]2cc(-c3ccc(C)cc3)n3c2CCC3)cc1
InChIInChI=1S/C23H25N2O/c1-3-18-8-12-20(13-9-18)22(26)16-24-15-21(25-14-4-5-23(24)25)19-10-6-17(2)7-11-19/h6-13,15H,3-5,14,16H2,1-2H3/q+1
InChIKeyVIXBIDYMEMDEAB-UHFFFAOYSA-N
XLogP4.14
TPSA25.88 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-(4-ethylphenyl)-2-[3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-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-phenyl-2-(p-tolyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium bromide
CID 16682272
1-Phenylcarbamoylmethyl-3-p-tolyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 16682349
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]benzamide
CID 134369552
2-(2-Methyl-benzoimidazol-1-yl)-1-phenyl-ethanone
CID 417677
3-(4-Chloro-phenyl)-1-(2-oxo-2-phenyl-ethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium
CID 16681988
1,2-dimethyl-3-(2-oxo-2-phenylethyl)-1H-benzo[d]imidazol-3-ium bromide
CID 16239771
6-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-N-methyl-2-naphthamide
CID 21879620
(4-fluorophenyl)-[2-(4-methylphenyl)-1H-imidazol-5-yl]methanone
CID 49787838
(4-fluorophenyl)(2-(p-tolyl)-1H-imidazol-5-yl)methanone hydrochloride
CID 49788059
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-phenylethanone
CID 66558380
4-(5-Imidazol-1-ylmethyl-pyridin-2-yl)-benzaldehyde
CID 70683111
1-cyclohexyl-2-[6-fluoro-5H-imidazo[4,3-a]isoindol-5-yl]ethan-1-one
CID 70874768

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-[3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]ethanone?
The IUPAC name of 1-(4-ethylphenyl)-2-[3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]ethanone (CID 2004305) is 1-(4-ethylphenyl)-2-[3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]ethanone.
What is the SMILES notation for 1-(4-ethylphenyl)-2-[3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]ethanone?
The canonical SMILES for 1-(4-ethylphenyl)-2-[3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]ethanone is CCc1ccc(C(=O)C[n+]2cc(-c3ccc(C)cc3)n3c2CCC3)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-[3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]ethanone?
The InChIKey is VIXBIDYMEMDEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N2O/c1-3-18-8-12-20(13-9-18)22(26)16-24-15-21(25-14-4-5-23(24)25)19-10-6-17(2)7-11-19/h6-13,15H,3-5,14,16H2,1-2H3/q+1.
What are the key properties of 1-(4-ethylphenyl)-2-[3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]ethanone?
1-(4-ethylphenyl)-2-[3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]ethanone has a molecular weight of 345.47 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-[3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]ethanone is sourced from PubChem (CID 2004305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).