2-(4-methylphenyl)-1-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium;hydrobromide

C19H20BrN2+ — CID 126956899

IUPAC2-(4-methylphenyl)-1-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium;hydrobromide
SMILESBr.Cc1ccc(-c2c[n+]3c(n2-c2ccccc2)CCC3)cc1
InChIInChI=1S/C19H19N2.BrH/c1-15-9-11-16(12-10-15)18-14-20-13-5-8-19(20)21(18)17-6-3-2-4-7-17;/h2-4,6-7,9-12,14H,5,8,13H2,1H3;1H/q+1;
InChIKeyGBKZHCQJQILQRT-UHFFFAOYSA-N
MW356.29 g/mol
LogP4.26
Rot. Bonds2

About 2-(4-methylphenyl)-1-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium;hydrobromide

2-(4-methylphenyl)-1-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium;hydrobromide (PubChem CID 126956899) has the molecular formula C19H20BrN2+ and a molecular weight of 356.29 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium;hydrobromide.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium;hydrobromide
PubChem CID126956899
Molecular FormulaC19H20BrN2+
Molecular Weight356.29 g/mol
Exact Mass355.08
IUPAC Name2-(4-methylphenyl)-1-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium;hydrobromide
SMILESBr.Cc1ccc(-c2c[n+]3c(n2-c2ccccc2)CCC3)cc1
InChIInChI=1S/C19H19N2.BrH/c1-15-9-11-16(12-10-15)18-14-20-13-5-8-19(20)21(18)17-6-3-2-4-7-17;/h2-4,6-7,9-12,14H,5,8,13H2,1H3;1H/q+1;
InChIKeyGBKZHCQJQILQRT-UHFFFAOYSA-N
XLogP4.26
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 54.26
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

1,2-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium
CID 767688
2-(4-ethoxyphenyl)-1-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium
CID 767633
1-(4-ethoxyphenyl)-2-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium
CID 767684
2-phenyl-1-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium
CID 21176882
1-[4-(difluoromethoxy)phenyl]-2-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium
CID 4087499
2-(4-bromophenyl)-3-(4-methylphenyl)-4,5-dihydroimidazo[1,2-a]quinolin-10-ium;hydrobromide
CID 126958128
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium;hydrobromide
CID 126958327
3-(4-methylphenyl)-6,9-diphenylcarbazole
CID 90290564
1-(4-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-4-ium
CID 3293402
1-[4-(difluoromethylsulfanyl)phenyl]-2-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium
CID 21178759
2-(4-methylphenyl)-1,3,5-triphenylpyrrole
CID 6710391
3-(4-methylphenyl)-1,2,5-triphenylpyrrole
CID 11851226

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium;hydrobromide?
The IUPAC name of 2-(4-methylphenyl)-1-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium;hydrobromide (CID 126956899) is 2-(4-methylphenyl)-1-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium;hydrobromide.
What is the SMILES notation for 2-(4-methylphenyl)-1-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium;hydrobromide?
The canonical SMILES for 2-(4-methylphenyl)-1-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium;hydrobromide is Br.Cc1ccc(-c2c[n+]3c(n2-c2ccccc2)CCC3)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium;hydrobromide?
The InChIKey is GBKZHCQJQILQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N2.BrH/c1-15-9-11-16(12-10-15)18-14-20-13-5-8-19(20)21(18)17-6-3-2-4-7-17;/h2-4,6-7,9-12,14H,5,8,13H2,1H3;1H/q+1;.
What are the key properties of 2-(4-methylphenyl)-1-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium;hydrobromide?
2-(4-methylphenyl)-1-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium;hydrobromide has a molecular weight of 356.29 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium;hydrobromide is sourced from PubChem (CID 126956899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).