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

C20H13F3N4 — CID 121350047

IUPAC6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline
SMILESFc1cc(F)c(F)c(-c2nc3n(c2-c2ccc4nccnc4c2)CCC3)c1
InChIInChI=1S/C20H13F3N4/c21-12-9-13(18(23)14(22)10-12)19-20(27-7-1-2-17(27)26-19)11-3-4-15-16(8-11)25-6-5-24-15/h3-6,8-10H,1-2,7H2
InChIKeyMGOKKFDXPBBOLS-UHFFFAOYSA-N
MW366.35 g/mol
LogP4.52
Rot. Bonds2

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

6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline (PubChem CID 121350047) has the molecular formula C20H13F3N4 and a molecular weight of 366.35 g/mol. Its IUPAC name is 6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline.

Molecular Properties

Compound Name6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline
PubChem CID121350047
Molecular FormulaC20H13F3N4
Molecular Weight366.35 g/mol
Exact Mass366.11
IUPAC Name6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline
SMILESFc1cc(F)c(F)c(-c2nc3n(c2-c2ccc4nccnc4c2)CCC3)c1
InChIInChI=1S/C20H13F3N4/c21-12-9-13(18(23)14(22)10-12)19-20(27-7-1-2-17(27)26-19)11-3-4-15-16(8-11)25-6-5-24-15/h3-6,8-10H,1-2,7H2
InChIKeyMGOKKFDXPBBOLS-UHFFFAOYSA-N
XLogP4.52
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline
CID 121349974
6-[2-(2-chloro-4-fluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline
CID 121350286
6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 121350087
6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline
CID 121358921
6-[2-(2,4-difluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline
CID 121350205
6-[2-(4-chloro-2,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline
CID 121350181
6-[2-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole
CID 121349966
6-[2-(2-chloro-4-fluoro-5-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole
CID 121350167
6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole
CID 121350148
6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline
CID 121350147
6-[2-(4-fluoro-2,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine
CID 121350131
6-[2-(3,4-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine
CID 121349978

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]quinoxaline?
The IUPAC name of 6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline (CID 121350047) is 6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline.
What is the SMILES notation for 6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline?
The canonical SMILES for 6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline is Fc1cc(F)c(F)c(-c2nc3n(c2-c2ccc4nccnc4c2)CCC3)c1.
What is the InChIKey of 6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline?
The InChIKey is MGOKKFDXPBBOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4/c21-12-9-13(18(23)14(22)10-12)19-20(27-7-1-2-17(27)26-19)11-3-4-15-16(8-11)25-6-5-24-15/h3-6,8-10H,1-2,7H2.
What are the key properties of 6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline?
6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline has a molecular weight of 366.35 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 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]quinoxaline is sourced from PubChem (CID 121350047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).