5-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,7a-dihydrobenzimidazol-2-one

C23H19FN6O2 — CID 154732875

IUPAC5-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,7a-dihydrobenzimidazol-2-one
SMILESO=C1N=C2C=C(c3c(-c4ccc(F)cc4)nc4c(N5CCOCC5)nccn34)C=CC2N1
InChIInChI=1S/C23H19FN6O2/c24-16-4-1-14(2-5-16)19-20(15-3-6-17-18(13-15)27-23(31)26-17)30-8-7-25-21(22(30)28-19)29-9-11-32-12-10-29/h1-8,13,17H,9-12H2,(H,26,31)
InChIKeyYPHHFEXBFCGFMK-UHFFFAOYSA-N
MW430.44 g/mol
LogP2.86
Rot. Bonds3

About 5-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,7a-dihydrobenzimidazol-2-one

5-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,7a-dihydrobenzimidazol-2-one (PubChem CID 154732875) has the molecular formula C23H19FN6O2 and a molecular weight of 430.44 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,7a-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,7a-dihydrobenzimidazol-2-one
PubChem CID154732875
Molecular FormulaC23H19FN6O2
Molecular Weight430.44 g/mol
Exact Mass430.16
IUPAC Name5-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,7a-dihydrobenzimidazol-2-one
SMILESO=C1N=C2C=C(c3c(-c4ccc(F)cc4)nc4c(N5CCOCC5)nccn34)C=CC2N1
InChIInChI=1S/C23H19FN6O2/c24-16-4-1-14(2-5-16)19-20(15-3-6-17-18(13-15)27-23(31)26-17)30-8-7-25-21(22(30)28-19)29-9-11-32-12-10-29/h1-8,13,17H,9-12H2,(H,26,31)
InChIKeyYPHHFEXBFCGFMK-UHFFFAOYSA-N
XLogP2.86
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,7a-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,7a-dihydrobenzimidazol-2-one (CID 154732875) is 5-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,7a-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,7a-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,7a-dihydrobenzimidazol-2-one is O=C1N=C2C=C(c3c(-c4ccc(F)cc4)nc4c(N5CCOCC5)nccn34)C=CC2N1.
What is the InChIKey of 5-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,7a-dihydrobenzimidazol-2-one?
The InChIKey is YPHHFEXBFCGFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O2/c24-16-4-1-14(2-5-16)19-20(15-3-6-17-18(13-15)27-23(31)26-17)30-8-7-25-21(22(30)28-19)29-9-11-32-12-10-29/h1-8,13,17H,9-12H2,(H,26,31).
What are the key properties of 5-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,7a-dihydrobenzimidazol-2-one?
5-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,7a-dihydrobenzimidazol-2-one has a molecular weight of 430.44 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-1,7a-dihydrobenzimidazol-2-one is sourced from PubChem (CID 154732875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).