6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline

C21H14F3N3 — CID 121349974

IUPAC6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline
SMILESFc1cc(F)c(F)c(-c2nc3n(c2-c2ccc4ncccc4c2)CCC3)c1
InChIInChI=1S/C21H14F3N3/c22-14-10-15(19(24)16(23)11-14)20-21(27-8-2-4-18(27)26-20)13-5-6-17-12(9-13)3-1-7-25-17/h1,3,5-7,9-11H,2,4,8H2
InChIKeyOCPMOPMETPLFFF-UHFFFAOYSA-N
MW365.36 g/mol
LogP5.13
Rot. Bonds2

About 6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline

6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline (PubChem CID 121349974) has the molecular formula C21H14F3N3 and a molecular weight of 365.36 g/mol. Its IUPAC name is 6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline.

Molecular Properties

Compound Name6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline
PubChem CID121349974
Molecular FormulaC21H14F3N3
Molecular Weight365.36 g/mol
Exact Mass365.11
IUPAC Name6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline
SMILESFc1cc(F)c(F)c(-c2nc3n(c2-c2ccc4ncccc4c2)CCC3)c1
InChIInChI=1S/C21H14F3N3/c22-14-10-15(19(24)16(23)11-14)20-21(27-8-2-4-18(27)26-20)13-5-6-17-12(9-13)3-1-7-25-17/h1,3,5-7,9-11H,2,4,8H2
InChIKeyOCPMOPMETPLFFF-UHFFFAOYSA-N
XLogP5.13
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.36
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline with MolForge

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Related Compounds

CR-4056
CID 24898732
3-Imidazol-1-yl-quinoline
CID 12354256
1-phenyl-2-(p-tolyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium bromide
CID 16682272
6-[Difluoro-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
CID 127045762
5-[2-(1H-imidazol-1-yl)ethyl]quinoline
CID 10751574
BI-9321
CID 138115329
(R)-2-(4-methyl-2-(pyrrolidin-1-yl)pyrimidin-5-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11647025
(R)-6-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-2,3-dihydroimidazo[2,1-b]thiazole
CID 11653478
(R)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11710453
4-(6,7-Difluoro-1-methylbenzimidazol-2-yl)isoquinoline
CID 68053567
5,7-Difluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 141370291
2-(1-Methyl-1H-imidazo[4,5-c]pyridin-2-yl)quinoline
CID 621221

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline?
The IUPAC name of 6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline (CID 121349974) is 6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline.
What is the SMILES notation for 6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline?
The canonical SMILES for 6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline is Fc1cc(F)c(F)c(-c2nc3n(c2-c2ccc4ncccc4c2)CCC3)c1.
What is the InChIKey of 6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline?
The InChIKey is OCPMOPMETPLFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3/c22-14-10-15(19(24)16(23)11-14)20-21(27-8-2-4-18(27)26-20)13-5-6-17-12(9-13)3-1-7-25-17/h1,3,5-7,9-11H,2,4,8H2.
What are the key properties of 6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline?
6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline has a molecular weight of 365.36 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline is sourced from PubChem (CID 121349974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).