N-(2,6-dichlorophenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)acetamide chloride

C20H18Cl3N3O — CID 44662049

IUPACN-(2,6-dichlorophenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)acetamide chloride
SMILESO=C(C[n+]1cc(-c2ccccc2)n2c1CCC2)Nc1c(Cl)cccc1Cl.[Cl-]
InChIInChI=1S/C20H17Cl2N3O.ClH/c21-15-8-4-9-16(22)20(15)23-18(26)13-24-12-17(14-6-2-1-3-7-14)25-11-5-10-19(24)25;/h1-4,6-9,12H,5,10-11,13H2;1H
InChIKeyIJRVDDVVKLIMPB-UHFFFAOYSA-N
MW422.74 g/mol
LogP1.34
Rot. Bonds4

About N-(2,6-dichlorophenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)acetamide chloride

N-(2,6-dichlorophenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)acetamide chloride (PubChem CID 44662049) has the molecular formula C20H18Cl3N3O and a molecular weight of 422.74 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)acetamide chloride.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)acetamide chloride
PubChem CID44662049
Molecular FormulaC20H18Cl3N3O
Molecular Weight422.74 g/mol
Exact Mass421.05
IUPAC NameN-(2,6-dichlorophenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)acetamide chloride
SMILESO=C(C[n+]1cc(-c2ccccc2)n2c1CCC2)Nc1c(Cl)cccc1Cl.[Cl-]
InChIInChI=1S/C20H17Cl2N3O.ClH/c21-15-8-4-9-16(22)20(15)23-18(26)13-24-12-17(14-6-2-1-3-7-14)25-11-5-10-19(24)25;/h1-4,6-9,12H,5,10-11,13H2;1H
InChIKeyIJRVDDVVKLIMPB-UHFFFAOYSA-N
XLogP1.34
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.74
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,6-dichlorophenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)acetamide chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)acetamide chloride?
The IUPAC name of N-(2,6-dichlorophenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)acetamide chloride (CID 44662049) is N-(2,6-dichlorophenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)acetamide chloride.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)acetamide chloride?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)acetamide chloride is O=C(C[n+]1cc(-c2ccccc2)n2c1CCC2)Nc1c(Cl)cccc1Cl.[Cl-].
What is the InChIKey of N-(2,6-dichlorophenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)acetamide chloride?
The InChIKey is IJRVDDVVKLIMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O.ClH/c21-15-8-4-9-16(22)20(15)23-18(26)13-24-12-17(14-6-2-1-3-7-14)25-11-5-10-19(24)25;/h1-4,6-9,12H,5,10-11,13H2;1H.
What are the key properties of N-(2,6-dichlorophenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)acetamide chloride?
N-(2,6-dichlorophenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)acetamide chloride has a molecular weight of 422.74 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)acetamide chloride is sourced from PubChem (CID 44662049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).