6-[2-(2-chloro-4-fluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline

C21H16ClFN4 — CID 121350286

IUPAC6-[2-(2-chloro-4-fluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline
SMILESCc1c(F)ccc(-c2nc3n(c2-c2ccc4nccnc4c2)CCC3)c1Cl
InChIInChI=1S/C21H16ClFN4/c1-12-15(23)6-5-14(19(12)22)20-21(27-10-2-3-18(27)26-20)13-4-7-16-17(11-13)25-9-8-24-16/h4-9,11H,2-3,10H2,1H3
InChIKeyLXQWMVWTMMSFLS-UHFFFAOYSA-N
MW378.84 g/mol
LogP5.21
Rot. Bonds2

About 6-[2-(2-chloro-4-fluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline

6-[2-(2-chloro-4-fluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline (PubChem CID 121350286) has the molecular formula C21H16ClFN4 and a molecular weight of 378.84 g/mol. Its IUPAC name is 6-[2-(2-chloro-4-fluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline.

Molecular Properties

Compound Name6-[2-(2-chloro-4-fluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline
PubChem CID121350286
Molecular FormulaC21H16ClFN4
Molecular Weight378.84 g/mol
Exact Mass378.10
IUPAC Name6-[2-(2-chloro-4-fluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline
SMILESCc1c(F)ccc(-c2nc3n(c2-c2ccc4nccnc4c2)CCC3)c1Cl
InChIInChI=1S/C21H16ClFN4/c1-12-15(23)6-5-14(19(12)22)20-21(27-10-2-3-18(27)26-20)13-4-7-16-17(11-13)25-9-8-24-16/h4-9,11H,2-3,10H2,1H3
InChIKeyLXQWMVWTMMSFLS-UHFFFAOYSA-N
XLogP5.21
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.84
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(2,4-difluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline
CID 121350205
6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline
CID 121350047
6-[2-(4-chloro-2,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline
CID 121350181
6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline
CID 121358921
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-5-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole
CID 121350167
5-[2-(4-fluoro-2,3-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;molecular hydrogen
CID 145086204
6-[2-(2,4-difluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 121350070
5-[2-(5-chloro-4-fluoro-2-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole
CID 160785048
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
5-[2-(2-chloro-4,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole
CID 159862721
6-[2-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole
CID 121349966

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-chloro-4-fluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline?
The IUPAC name of 6-[2-(2-chloro-4-fluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline (CID 121350286) is 6-[2-(2-chloro-4-fluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline.
What is the SMILES notation for 6-[2-(2-chloro-4-fluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline?
The canonical SMILES for 6-[2-(2-chloro-4-fluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline is Cc1c(F)ccc(-c2nc3n(c2-c2ccc4nccnc4c2)CCC3)c1Cl.
What is the InChIKey of 6-[2-(2-chloro-4-fluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline?
The InChIKey is LXQWMVWTMMSFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN4/c1-12-15(23)6-5-14(19(12)22)20-21(27-10-2-3-18(27)26-20)13-4-7-16-17(11-13)25-9-8-24-16/h4-9,11H,2-3,10H2,1H3.
What are the key properties of 6-[2-(2-chloro-4-fluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline?
6-[2-(2-chloro-4-fluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline has a molecular weight of 378.84 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-chloro-4-fluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline is sourced from PubChem (CID 121350286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).