2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one

C20H15F2N3OS — CID 15949921

IUPAC2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one
SMILESCN1C(=O)C(c2ccsc2)(c2cccc(-c3cc(F)ccc3F)c2)N=C1N
InChIInChI=1S/C20H15F2N3OS/c1-25-18(26)20(24-19(25)23,14-7-8-27-11-14)13-4-2-3-12(9-13)16-10-15(21)5-6-17(16)22/h2-11H,1H3,(H2,23,24)
InChIKeyBTBBHEGHDROAJX-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.72
Rot. Bonds3

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

2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one (PubChem CID 15949921) has the molecular formula C20H15F2N3OS and a molecular weight of 383.42 g/mol. Its IUPAC name is 2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one
PubChem CID15949921
Molecular FormulaC20H15F2N3OS
Molecular Weight383.42 g/mol
Exact Mass383.09
IUPAC Name2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one
SMILESCN1C(=O)C(c2ccsc2)(c2cccc(-c3cc(F)ccc3F)c2)N=C1N
InChIInChI=1S/C20H15F2N3OS/c1-25-18(26)20(24-19(25)23,14-7-8-27-11-14)13-4-2-3-12(9-13)16-10-15(21)5-6-17(16)22/h2-11H,1H3,(H2,23,24)
InChIKeyBTBBHEGHDROAJX-UHFFFAOYSA-N
XLogP3.72
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one (CID 15949921) is 2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one is CN1C(=O)C(c2ccsc2)(c2cccc(-c3cc(F)ccc3F)c2)N=C1N.
What is the InChIKey of 2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one?
The InChIKey is BTBBHEGHDROAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3OS/c1-25-18(26)20(24-19(25)23,14-7-8-27-11-14)13-4-2-3-12(9-13)16-10-15(21)5-6-17(16)22/h2-11H,1H3,(H2,23,24).
What are the key properties of 2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one?
2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one has a molecular weight of 383.42 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-thiophen-3-ylimidazol-4-one is sourced from PubChem (CID 15949921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).