2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(2-fluoro-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one

C20H16F2N4OS — CID 146622967

IUPAC2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(2-fluoro-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2ccnc(CF)c2)(c2cc(-c3ccsc3)ccc2F)N=C1N
InChIInChI=1S/C20H16F2N4OS/c1-26-18(27)20(25-19(26)23,14-4-6-24-15(9-14)10-21)16-8-12(2-3-17(16)22)13-5-7-28-11-13/h2-9,11H,10H2,1H3,(H2,23,25)
InChIKeyYFSVNLQZWQTVHN-UHFFFAOYSA-N
MW398.44 g/mol
LogP3.45
Rot. Bonds4

About 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(2-fluoro-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one

2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(2-fluoro-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one (PubChem CID 146622967) has the molecular formula C20H16F2N4OS and a molecular weight of 398.44 g/mol. Its IUPAC name is 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(2-fluoro-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(2-fluoro-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one
PubChem CID146622967
Molecular FormulaC20H16F2N4OS
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC Name2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(2-fluoro-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2ccnc(CF)c2)(c2cc(-c3ccsc3)ccc2F)N=C1N
InChIInChI=1S/C20H16F2N4OS/c1-26-18(27)20(25-19(26)23,14-4-6-24-15(9-14)10-21)16-8-12(2-3-17(16)22)13-5-7-28-11-13/h2-9,11H,10H2,1H3,(H2,23,25)
InChIKeyYFSVNLQZWQTVHN-UHFFFAOYSA-N
XLogP3.45
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(2-fluoro-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(2-fluoro-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one (CID 146622967) is 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(2-fluoro-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(2-fluoro-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(2-fluoro-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one is CN1C(=O)C(c2ccnc(CF)c2)(c2cc(-c3ccsc3)ccc2F)N=C1N.
What is the InChIKey of 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(2-fluoro-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one?
The InChIKey is YFSVNLQZWQTVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4OS/c1-26-18(27)20(25-19(26)23,14-4-6-24-15(9-14)10-21)16-8-12(2-3-17(16)22)13-5-7-28-11-13/h2-9,11H,10H2,1H3,(H2,23,25).
What are the key properties of 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(2-fluoro-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one?
2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(2-fluoro-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one has a molecular weight of 398.44 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(2-fluoro-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one is sourced from PubChem (CID 146622967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).