[5-(3,4-difluorophenyl)-5-hydroxy-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]-(4-methylphenyl)methanone

C20H18F2N2O2 — CID 175690363

IUPAC[5-(3,4-difluorophenyl)-5-hydroxy-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2=C3NCCN3C(O)(c3ccc(F)c(F)c3)C2)cc1
InChIInChI=1S/C20H18F2N2O2/c1-12-2-4-13(5-3-12)18(25)15-11-20(26,24-9-8-23-19(15)24)14-6-7-16(21)17(22)10-14/h2-7,10,23,26H,8-9,11H2,1H3
InChIKeyMMHYALSGZNIECJ-UHFFFAOYSA-N
MW356.37 g/mol
LogP2.82
Rot. Bonds3

About [5-(3,4-difluorophenyl)-5-hydroxy-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]-(4-methylphenyl)methanone

[5-(3,4-difluorophenyl)-5-hydroxy-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]-(4-methylphenyl)methanone (PubChem CID 175690363) has the molecular formula C20H18F2N2O2 and a molecular weight of 356.37 g/mol. Its IUPAC name is [5-(3,4-difluorophenyl)-5-hydroxy-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[5-(3,4-difluorophenyl)-5-hydroxy-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]-(4-methylphenyl)methanone
PubChem CID175690363
Molecular FormulaC20H18F2N2O2
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name[5-(3,4-difluorophenyl)-5-hydroxy-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2=C3NCCN3C(O)(c3ccc(F)c(F)c3)C2)cc1
InChIInChI=1S/C20H18F2N2O2/c1-12-2-4-13(5-3-12)18(25)15-11-20(26,24-9-8-23-19(15)24)14-6-7-16(21)17(22)10-14/h2-7,10,23,26H,8-9,11H2,1H3
InChIKeyMMHYALSGZNIECJ-UHFFFAOYSA-N
XLogP2.82
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(3,4-difluorophenyl)-5-hydroxy-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]-(4-methylphenyl)methanone?
The IUPAC name of [5-(3,4-difluorophenyl)-5-hydroxy-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]-(4-methylphenyl)methanone (CID 175690363) is [5-(3,4-difluorophenyl)-5-hydroxy-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [5-(3,4-difluorophenyl)-5-hydroxy-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [5-(3,4-difluorophenyl)-5-hydroxy-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)C2=C3NCCN3C(O)(c3ccc(F)c(F)c3)C2)cc1.
What is the InChIKey of [5-(3,4-difluorophenyl)-5-hydroxy-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]-(4-methylphenyl)methanone?
The InChIKey is MMHYALSGZNIECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O2/c1-12-2-4-13(5-3-12)18(25)15-11-20(26,24-9-8-23-19(15)24)14-6-7-16(21)17(22)10-14/h2-7,10,23,26H,8-9,11H2,1H3.
What are the key properties of [5-(3,4-difluorophenyl)-5-hydroxy-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]-(4-methylphenyl)methanone?
[5-(3,4-difluorophenyl)-5-hydroxy-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]-(4-methylphenyl)methanone has a molecular weight of 356.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-difluorophenyl)-5-hydroxy-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 175690363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).