2-amino-5-[3-(3-fluoropropyl)phenyl]-5-(4-hydroxyphenyl)-3-methylimidazol-4-one

C19H20FN3O2 — CID 70867329

IUPAC2-amino-5-[3-(3-fluoropropyl)phenyl]-5-(4-hydroxyphenyl)-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2ccc(O)cc2)(c2cccc(CCCF)c2)N=C1N
InChIInChI=1S/C19H20FN3O2/c1-23-17(25)19(22-18(23)21,14-7-9-16(24)10-8-14)15-6-2-4-13(12-15)5-3-11-20/h2,4,6-10,12,24H,3,5,11H2,1H3,(H2,21,22)
InChIKeyKAIIIHQAKWIACJ-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.32
Rot. Bonds5

About 2-amino-5-[3-(3-fluoropropyl)phenyl]-5-(4-hydroxyphenyl)-3-methylimidazol-4-one

2-amino-5-[3-(3-fluoropropyl)phenyl]-5-(4-hydroxyphenyl)-3-methylimidazol-4-one (PubChem CID 70867329) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-amino-5-[3-(3-fluoropropyl)phenyl]-5-(4-hydroxyphenyl)-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(3-fluoropropyl)phenyl]-5-(4-hydroxyphenyl)-3-methylimidazol-4-one
PubChem CID70867329
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name2-amino-5-[3-(3-fluoropropyl)phenyl]-5-(4-hydroxyphenyl)-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2ccc(O)cc2)(c2cccc(CCCF)c2)N=C1N
InChIInChI=1S/C19H20FN3O2/c1-23-17(25)19(22-18(23)21,14-7-9-16(24)10-8-14)15-6-2-4-13(12-15)5-3-11-20/h2,4,6-10,12,24H,3,5,11H2,1H3,(H2,21,22)
InChIKeyKAIIIHQAKWIACJ-UHFFFAOYSA-N
XLogP2.32
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(3-fluoropropyl)phenyl]-5-(4-hydroxyphenyl)-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-(3-fluoropropyl)phenyl]-5-(4-hydroxyphenyl)-3-methylimidazol-4-one (CID 70867329) is 2-amino-5-[3-(3-fluoropropyl)phenyl]-5-(4-hydroxyphenyl)-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(3-fluoropropyl)phenyl]-5-(4-hydroxyphenyl)-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(3-fluoropropyl)phenyl]-5-(4-hydroxyphenyl)-3-methylimidazol-4-one is CN1C(=O)C(c2ccc(O)cc2)(c2cccc(CCCF)c2)N=C1N.
What is the InChIKey of 2-amino-5-[3-(3-fluoropropyl)phenyl]-5-(4-hydroxyphenyl)-3-methylimidazol-4-one?
The InChIKey is KAIIIHQAKWIACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-23-17(25)19(22-18(23)21,14-7-9-16(24)10-8-14)15-6-2-4-13(12-15)5-3-11-20/h2,4,6-10,12,24H,3,5,11H2,1H3,(H2,21,22).
What are the key properties of 2-amino-5-[3-(3-fluoropropyl)phenyl]-5-(4-hydroxyphenyl)-3-methylimidazol-4-one?
2-amino-5-[3-(3-fluoropropyl)phenyl]-5-(4-hydroxyphenyl)-3-methylimidazol-4-one has a molecular weight of 341.39 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(3-fluoropropyl)phenyl]-5-(4-hydroxyphenyl)-3-methylimidazol-4-one is sourced from PubChem (CID 70867329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).