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

C19H17FN2O2 — CID 175689862

IUPAC(4-fluorophenyl)-(5-hydroxy-5-phenyl-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl)methanone
SMILESO=C(C1=C2NCCN2C(O)(c2ccccc2)C1)c1ccc(F)cc1
InChIInChI=1S/C19H17FN2O2/c20-15-8-6-13(7-9-15)17(23)16-12-19(24,14-4-2-1-3-5-14)22-11-10-21-18(16)22/h1-9,21,24H,10-12H2
InChIKeyNONPNJHIPLAXFW-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.37
Rot. Bonds3

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

(4-fluorophenyl)-(5-hydroxy-5-phenyl-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl)methanone (PubChem CID 175689862) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is (4-fluorophenyl)-(5-hydroxy-5-phenyl-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(5-hydroxy-5-phenyl-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl)methanone
PubChem CID175689862
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name(4-fluorophenyl)-(5-hydroxy-5-phenyl-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl)methanone
SMILESO=C(C1=C2NCCN2C(O)(c2ccccc2)C1)c1ccc(F)cc1
InChIInChI=1S/C19H17FN2O2/c20-15-8-6-13(7-9-15)17(23)16-12-19(24,14-4-2-1-3-5-14)22-11-10-21-18(16)22/h1-9,21,24H,10-12H2
InChIKeyNONPNJHIPLAXFW-UHFFFAOYSA-N
XLogP2.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(5-hydroxy-5-phenyl-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(5-hydroxy-5-phenyl-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl)methanone (CID 175689862) is (4-fluorophenyl)-(5-hydroxy-5-phenyl-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(5-hydroxy-5-phenyl-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(5-hydroxy-5-phenyl-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl)methanone is O=C(C1=C2NCCN2C(O)(c2ccccc2)C1)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-(5-hydroxy-5-phenyl-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl)methanone?
The InChIKey is NONPNJHIPLAXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c20-15-8-6-13(7-9-15)17(23)16-12-19(24,14-4-2-1-3-5-14)22-11-10-21-18(16)22/h1-9,21,24H,10-12H2.
What are the key properties of (4-fluorophenyl)-(5-hydroxy-5-phenyl-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl)methanone?
(4-fluorophenyl)-(5-hydroxy-5-phenyl-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl)methanone has a molecular weight of 324.36 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(5-hydroxy-5-phenyl-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-7-yl)methanone is sourced from PubChem (CID 175689862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).