2-amino-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one

C19H14F2N4OS — CID 56672299

IUPAC2-amino-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one
SMILESCN1C(=O)C(c2ccsc2)(c2ccc(F)c(-c3cccnc3F)c2)N=C1N
InChIInChI=1S/C19H14F2N4OS/c1-25-17(26)19(24-18(25)22,12-6-8-27-10-12)11-4-5-15(20)14(9-11)13-3-2-7-23-16(13)21/h2-10H,1H3,(H2,22,24)
InChIKeyJCEVTYZGXQGFEM-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.12
Rot. Bonds3

About 2-amino-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one

2-amino-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one (PubChem CID 56672299) has the molecular formula C19H14F2N4OS and a molecular weight of 384.41 g/mol. Its IUPAC name is 2-amino-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one
PubChem CID56672299
Molecular FormulaC19H14F2N4OS
Molecular Weight384.41 g/mol
Exact Mass384.09
IUPAC Name2-amino-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one
SMILESCN1C(=O)C(c2ccsc2)(c2ccc(F)c(-c3cccnc3F)c2)N=C1N
InChIInChI=1S/C19H14F2N4OS/c1-25-17(26)19(24-18(25)22,12-6-8-27-10-12)11-4-5-15(20)14(9-11)13-3-2-7-23-16(13)21/h2-10H,1H3,(H2,22,24)
InChIKeyJCEVTYZGXQGFEM-UHFFFAOYSA-N
XLogP3.12
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one?
The IUPAC name of 2-amino-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one (CID 56672299) is 2-amino-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one?
The canonical SMILES for 2-amino-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one is CN1C(=O)C(c2ccsc2)(c2ccc(F)c(-c3cccnc3F)c2)N=C1N.
What is the InChIKey of 2-amino-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one?
The InChIKey is JCEVTYZGXQGFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4OS/c1-25-17(26)19(24-18(25)22,12-6-8-27-10-12)11-4-5-15(20)14(9-11)13-3-2-7-23-16(13)21/h2-10H,1H3,(H2,22,24).
What are the key properties of 2-amino-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one?
2-amino-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one has a molecular weight of 384.41 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-fluoro-3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one is sourced from PubChem (CID 56672299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).