3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium

C19H17Cl2N2+ — CID 941580

IUPAC3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
SMILESClc1ccc(-c2c[n+](Cc3ccccc3Cl)c3n2CCC3)cc1
InChIInChI=1S/C19H17Cl2N2/c20-16-9-7-14(8-10-16)18-13-22(19-6-3-11-23(18)19)12-15-4-1-2-5-17(15)21/h1-2,4-5,7-10,13H,3,6,11-12H2/q+1
InChIKeyKEPXZMAZPCSYCM-UHFFFAOYSA-N
MW344.27 g/mol
LogP4.74
Rot. Bonds3

About 3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium

3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium (PubChem CID 941580) has the molecular formula C19H17Cl2N2+ and a molecular weight of 344.27 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
PubChem CID941580
Molecular FormulaC19H17Cl2N2+
Molecular Weight344.27 g/mol
Exact Mass343.08
IUPAC Name3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
SMILESClc1ccc(-c2c[n+](Cc3ccccc3Cl)c3n2CCC3)cc1
InChIInChI=1S/C19H17Cl2N2/c20-16-9-7-14(8-10-16)18-13-22(19-6-3-11-23(18)19)12-15-4-1-2-5-17(15)21/h1-2,4-5,7-10,13H,3,6,11-12H2/q+1
InChIKeyKEPXZMAZPCSYCM-UHFFFAOYSA-N
XLogP4.74
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Clemizole Hydrochloride
CID 5309446
Clemizole
CID 2782
2-(4-Chlorophenyl)imidazo(1,2-a)pyridine
CID 745769
1-benzyl-5-phenyl-1H-imidazole
CID 10444038
4-[1-(2,6-dichlorobenzyl)-2-methyl-1H-imidazol-4-yl]pyrimidin-2-amine
CID 2766552
1-phenyl-2-(p-tolyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium bromide
CID 16682272
5H-Imidazo(1,2-a)azepinium, 1-((2,4-dichlorophenyl)methyl)-6,7,8,9-tetrahydro-3-phenyl-, bromide
CID 11568649
1-(4-Chlorobenzyl)-5-phenyl-1H-imidazole
CID 45103809
6-(4-Chlorophenyl)-2-phenylimidazo[1,2-a]pyridine
CID 58880630
6-Chloro-2-(4-chlorophenyl)imidazo(1,2-a)pyridine
CID 717647
3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine
CID 3361257
2-(4-Chlorophenyl)-8-methylimidazo[1,2-a]pyridine
CID 3703860

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium?
The IUPAC name of 3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium (CID 941580) is 3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium?
The canonical SMILES for 3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium is Clc1ccc(-c2c[n+](Cc3ccccc3Cl)c3n2CCC3)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium?
The InChIKey is KEPXZMAZPCSYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N2/c20-16-9-7-14(8-10-16)18-13-22(19-6-3-11-23(18)19)12-15-4-1-2-5-17(15)21/h1-2,4-5,7-10,13H,3,6,11-12H2/q+1.
What are the key properties of 3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium?
3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium has a molecular weight of 344.27 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium is sourced from PubChem (CID 941580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).