3-[7-(4-fluorobenzoyl)-5-hydroxy-5-phenyl-2,3-dihydropyrrolo[1,2-a]imidazol-6-yl]-4-hydroxychromen-2-one

C28H19FN2O5 — CID 175206749

IUPAC3-[7-(4-fluorobenzoyl)-5-hydroxy-5-phenyl-2,3-dihydropyrrolo[1,2-a]imidazol-6-yl]-4-hydroxychromen-2-one
SMILESO=C(C1=C(c2c(O)c3ccccc3oc2=O)C(O)(c2ccccc2)N2CCN=C12)c1ccc(F)cc1
InChIInChI=1S/C28H19FN2O5/c29-18-12-10-16(11-13-18)24(32)21-23(22-25(33)19-8-4-5-9-20(19)36-27(22)34)28(35,17-6-2-1-3-7-17)31-15-14-30-26(21)31/h1-13,33,35H,14-15H2
InChIKeyGZFRANVGGHGNBK-UHFFFAOYSA-N
MW482.47 g/mol
LogP3.85
Rot. Bonds4

About 3-[7-(4-fluorobenzoyl)-5-hydroxy-5-phenyl-2,3-dihydropyrrolo[1,2-a]imidazol-6-yl]-4-hydroxychromen-2-one

3-[7-(4-fluorobenzoyl)-5-hydroxy-5-phenyl-2,3-dihydropyrrolo[1,2-a]imidazol-6-yl]-4-hydroxychromen-2-one (PubChem CID 175206749) has the molecular formula C28H19FN2O5 and a molecular weight of 482.47 g/mol. Its IUPAC name is 3-[7-(4-fluorobenzoyl)-5-hydroxy-5-phenyl-2,3-dihydropyrrolo[1,2-a]imidazol-6-yl]-4-hydroxychromen-2-one.

Molecular Properties

Compound Name3-[7-(4-fluorobenzoyl)-5-hydroxy-5-phenyl-2,3-dihydropyrrolo[1,2-a]imidazol-6-yl]-4-hydroxychromen-2-one
PubChem CID175206749
Molecular FormulaC28H19FN2O5
Molecular Weight482.47 g/mol
Exact Mass482.13
IUPAC Name3-[7-(4-fluorobenzoyl)-5-hydroxy-5-phenyl-2,3-dihydropyrrolo[1,2-a]imidazol-6-yl]-4-hydroxychromen-2-one
SMILESO=C(C1=C(c2c(O)c3ccccc3oc2=O)C(O)(c2ccccc2)N2CCN=C12)c1ccc(F)cc1
InChIInChI=1S/C28H19FN2O5/c29-18-12-10-16(11-13-18)24(32)21-23(22-25(33)19-8-4-5-9-20(19)36-27(22)34)28(35,17-6-2-1-3-7-17)31-15-14-30-26(21)31/h1-13,33,35H,14-15H2
InChIKeyGZFRANVGGHGNBK-UHFFFAOYSA-N
XLogP3.85
TPSA103.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.47
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[7-(4-fluorobenzoyl)-5-hydroxy-5-phenyl-2,3-dihydropyrrolo[1,2-a]imidazol-6-yl]-4-hydroxychromen-2-one?
The IUPAC name of 3-[7-(4-fluorobenzoyl)-5-hydroxy-5-phenyl-2,3-dihydropyrrolo[1,2-a]imidazol-6-yl]-4-hydroxychromen-2-one (CID 175206749) is 3-[7-(4-fluorobenzoyl)-5-hydroxy-5-phenyl-2,3-dihydropyrrolo[1,2-a]imidazol-6-yl]-4-hydroxychromen-2-one.
What is the SMILES notation for 3-[7-(4-fluorobenzoyl)-5-hydroxy-5-phenyl-2,3-dihydropyrrolo[1,2-a]imidazol-6-yl]-4-hydroxychromen-2-one?
The canonical SMILES for 3-[7-(4-fluorobenzoyl)-5-hydroxy-5-phenyl-2,3-dihydropyrrolo[1,2-a]imidazol-6-yl]-4-hydroxychromen-2-one is O=C(C1=C(c2c(O)c3ccccc3oc2=O)C(O)(c2ccccc2)N2CCN=C12)c1ccc(F)cc1.
What is the InChIKey of 3-[7-(4-fluorobenzoyl)-5-hydroxy-5-phenyl-2,3-dihydropyrrolo[1,2-a]imidazol-6-yl]-4-hydroxychromen-2-one?
The InChIKey is GZFRANVGGHGNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19FN2O5/c29-18-12-10-16(11-13-18)24(32)21-23(22-25(33)19-8-4-5-9-20(19)36-27(22)34)28(35,17-6-2-1-3-7-17)31-15-14-30-26(21)31/h1-13,33,35H,14-15H2.
What are the key properties of 3-[7-(4-fluorobenzoyl)-5-hydroxy-5-phenyl-2,3-dihydropyrrolo[1,2-a]imidazol-6-yl]-4-hydroxychromen-2-one?
3-[7-(4-fluorobenzoyl)-5-hydroxy-5-phenyl-2,3-dihydropyrrolo[1,2-a]imidazol-6-yl]-4-hydroxychromen-2-one has a molecular weight of 482.47 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(4-fluorobenzoyl)-5-hydroxy-5-phenyl-2,3-dihydropyrrolo[1,2-a]imidazol-6-yl]-4-hydroxychromen-2-one is sourced from PubChem (CID 175206749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).