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

C19H19F2N3O2 — CID 70867259

IUPAC2-amino-5-[4-fluoro-3-(3-fluoropropyl)phenyl]-5-(4-hydroxyphenyl)-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2ccc(O)cc2)(c2ccc(F)c(CCCF)c2)N=C1N
InChIInChI=1S/C19H19F2N3O2/c1-24-17(26)19(23-18(24)22,13-4-7-15(25)8-5-13)14-6-9-16(21)12(11-14)3-2-10-20/h4-9,11,25H,2-3,10H2,1H3,(H2,22,23)
InChIKeyQJDFTIPMUUCTCU-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.46
Rot. Bonds5

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

2-amino-5-[4-fluoro-3-(3-fluoropropyl)phenyl]-5-(4-hydroxyphenyl)-3-methylimidazol-4-one (PubChem CID 70867259) has the molecular formula C19H19F2N3O2 and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-amino-5-[4-fluoro-3-(3-fluoropropyl)phenyl]-5-(4-hydroxyphenyl)-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[4-fluoro-3-(3-fluoropropyl)phenyl]-5-(4-hydroxyphenyl)-3-methylimidazol-4-one
PubChem CID70867259
Molecular FormulaC19H19F2N3O2
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name2-amino-5-[4-fluoro-3-(3-fluoropropyl)phenyl]-5-(4-hydroxyphenyl)-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2ccc(O)cc2)(c2ccc(F)c(CCCF)c2)N=C1N
InChIInChI=1S/C19H19F2N3O2/c1-24-17(26)19(23-18(24)22,13-4-7-15(25)8-5-13)14-6-9-16(21)12(11-14)3-2-10-20/h4-9,11,25H,2-3,10H2,1H3,(H2,22,23)
InChIKeyQJDFTIPMUUCTCU-UHFFFAOYSA-N
XLogP2.46
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-fluoro-3-(3-fluoropropyl)phenyl]-5-(4-hydroxyphenyl)-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[4-fluoro-3-(3-fluoropropyl)phenyl]-5-(4-hydroxyphenyl)-3-methylimidazol-4-one (CID 70867259) is 2-amino-5-[4-fluoro-3-(3-fluoropropyl)phenyl]-5-(4-hydroxyphenyl)-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[4-fluoro-3-(3-fluoropropyl)phenyl]-5-(4-hydroxyphenyl)-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[4-fluoro-3-(3-fluoropropyl)phenyl]-5-(4-hydroxyphenyl)-3-methylimidazol-4-one is CN1C(=O)C(c2ccc(O)cc2)(c2ccc(F)c(CCCF)c2)N=C1N.
What is the InChIKey of 2-amino-5-[4-fluoro-3-(3-fluoropropyl)phenyl]-5-(4-hydroxyphenyl)-3-methylimidazol-4-one?
The InChIKey is QJDFTIPMUUCTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2/c1-24-17(26)19(23-18(24)22,13-4-7-15(25)8-5-13)14-6-9-16(21)12(11-14)3-2-10-20/h4-9,11,25H,2-3,10H2,1H3,(H2,22,23).
What are the key properties of 2-amino-5-[4-fluoro-3-(3-fluoropropyl)phenyl]-5-(4-hydroxyphenyl)-3-methylimidazol-4-one?
2-amino-5-[4-fluoro-3-(3-fluoropropyl)phenyl]-5-(4-hydroxyphenyl)-3-methylimidazol-4-one has a molecular weight of 359.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-fluoro-3-(3-fluoropropyl)phenyl]-5-(4-hydroxyphenyl)-3-methylimidazol-4-one is sourced from PubChem (CID 70867259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).