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

C22H19FN4 — CID 121349938

IUPAC6-[2-(4-fluoro-3,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline
SMILESCc1cc(-c2nc3n(c2-c2ccc4nccnc4c2)CCC3)cc(C)c1F
InChIInChI=1S/C22H19FN4/c1-13-10-16(11-14(2)20(13)23)21-22(27-9-3-4-19(27)26-21)15-5-6-17-18(12-15)25-8-7-24-17/h5-8,10-12H,3-4,9H2,1-2H3
InChIKeyYIARIVAHFDQJNI-UHFFFAOYSA-N
MW358.42 g/mol
LogP4.86
Rot. Bonds2

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

6-[2-(4-fluoro-3,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline (PubChem CID 121349938) has the molecular formula C22H19FN4 and a molecular weight of 358.42 g/mol. Its IUPAC name is 6-[2-(4-fluoro-3,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline.

Molecular Properties

Compound Name6-[2-(4-fluoro-3,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline
PubChem CID121349938
Molecular FormulaC22H19FN4
Molecular Weight358.42 g/mol
Exact Mass358.16
IUPAC Name6-[2-(4-fluoro-3,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline
SMILESCc1cc(-c2nc3n(c2-c2ccc4nccnc4c2)CCC3)cc(C)c1F
InChIInChI=1S/C22H19FN4/c1-13-10-16(11-14(2)20(13)23)21-22(27-9-3-4-19(27)26-21)15-5-6-17-18(12-15)25-8-7-24-17/h5-8,10-12H,3-4,9H2,1-2H3
InChIKeyYIARIVAHFDQJNI-UHFFFAOYSA-N
XLogP4.86
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluoro-3,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline?
The IUPAC name of 6-[2-(4-fluoro-3,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline (CID 121349938) is 6-[2-(4-fluoro-3,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline.
What is the SMILES notation for 6-[2-(4-fluoro-3,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline?
The canonical SMILES for 6-[2-(4-fluoro-3,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline is Cc1cc(-c2nc3n(c2-c2ccc4nccnc4c2)CCC3)cc(C)c1F.
What is the InChIKey of 6-[2-(4-fluoro-3,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline?
The InChIKey is YIARIVAHFDQJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4/c1-13-10-16(11-14(2)20(13)23)21-22(27-9-3-4-19(27)26-21)15-5-6-17-18(12-15)25-8-7-24-17/h5-8,10-12H,3-4,9H2,1-2H3.
What are the key properties of 6-[2-(4-fluoro-3,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline?
6-[2-(4-fluoro-3,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline has a molecular weight of 358.42 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluoro-3,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline is sourced from PubChem (CID 121349938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).