1,2-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium bromide

C18H17BrN2 — CID 16682165

IUPAC1,2-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium bromide
SMILES[Br-].c1ccc(-c2c[n+]3c(n2-c2ccccc2)CCC3)cc1
InChIInChI=1S/C18H17N2.BrH/c1-3-8-15(9-4-1)17-14-19-13-7-12-18(19)20(17)16-10-5-2-6-11-16;/h1-6,8-11,14H,7,12-13H2;1H/q+1;/p-1
InChIKeyFPJJKNBPERAJSG-UHFFFAOYSA-M
MW341.25 g/mol
LogP0.38
Rot. Bonds2

About 1,2-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium bromide

1,2-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium bromide (PubChem CID 16682165) has the molecular formula C18H17BrN2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 1,2-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium bromide.

Molecular Properties

Compound Name1,2-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium bromide
PubChem CID16682165
Molecular FormulaC18H17BrN2
Molecular Weight341.25 g/mol
Exact Mass340.06
IUPAC Name1,2-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium bromide
SMILES[Br-].c1ccc(-c2c[n+]3c(n2-c2ccccc2)CCC3)cc1
InChIInChI=1S/C18H17N2.BrH/c1-3-8-15(9-4-1)17-14-19-13-7-12-18(19)20(17)16-10-5-2-6-11-16;/h1-6,8-11,14H,7,12-13H2;1H/q+1;/p-1
InChIKeyFPJJKNBPERAJSG-UHFFFAOYSA-M
XLogP0.38
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,2-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium bromide 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 1,2-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium bromide?
The IUPAC name of 1,2-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium bromide (CID 16682165) is 1,2-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium bromide.
What is the SMILES notation for 1,2-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium bromide?
The canonical SMILES for 1,2-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium bromide is [Br-].c1ccc(-c2c[n+]3c(n2-c2ccccc2)CCC3)cc1.
What is the InChIKey of 1,2-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium bromide?
The InChIKey is FPJJKNBPERAJSG-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H17N2.BrH/c1-3-8-15(9-4-1)17-14-19-13-7-12-18(19)20(17)16-10-5-2-6-11-16;/h1-6,8-11,14H,7,12-13H2;1H/q+1;/p-1.
What are the key properties of 1,2-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium bromide?
1,2-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium bromide has a molecular weight of 341.25 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium bromide is sourced from PubChem (CID 16682165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).