2-amino-5-[5-(3-fluorophenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one

C20H16FN3OS — CID 59388755

IUPAC2-amino-5-[5-(3-fluorophenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2ccc(-c3cccc(F)c3)s2)N=C1N
InChIInChI=1S/C20H16FN3OS/c1-24-18(25)20(23-19(24)22,14-7-3-2-4-8-14)17-11-10-16(26-17)13-6-5-9-15(21)12-13/h2-12H,1H3,(H2,22,23)
InChIKeyLBGICMZACFJNPI-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.58
Rot. Bonds3

About 2-amino-5-[5-(3-fluorophenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one

2-amino-5-[5-(3-fluorophenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one (PubChem CID 59388755) has the molecular formula C20H16FN3OS and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-amino-5-[5-(3-fluorophenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[5-(3-fluorophenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one
PubChem CID59388755
Molecular FormulaC20H16FN3OS
Molecular Weight365.43 g/mol
Exact Mass365.10
IUPAC Name2-amino-5-[5-(3-fluorophenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2ccc(-c3cccc(F)c3)s2)N=C1N
InChIInChI=1S/C20H16FN3OS/c1-24-18(25)20(23-19(24)22,14-7-3-2-4-8-14)17-11-10-16(26-17)13-6-5-9-15(21)12-13/h2-12H,1H3,(H2,22,23)
InChIKeyLBGICMZACFJNPI-UHFFFAOYSA-N
XLogP3.58
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-(3,5-difluorophenyl)-3-methyl-5-phenylimidazol-4-one;methane
CID 158519344
2-amino-5-(4-fluoro-3-phenylphenyl)-3-methyl-5-phenylimidazol-4-one
CID 163906937
2-amino-3-methyl-5-phenyl-5-[4-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]imidazol-4-one
CID 59386861
5-[5-(3-fluorophenyl)thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 75629884
(5S)-2-amino-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-ylimidazol-4-one
CID 46830239
3-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide
CID 25063752
3-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 25063751
2-amino-5-(4-hydroxyphenyl)-3-methyl-5-phenylimidazol-4-one
CID 70867323
2-amino-5-[5-(3-chlorophenyl)thiophen-2-yl]-5-cyclopropyl-3-methylimidazol-4-one
CID 59387943
2-amino-3-methyl-5-phenyl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazol-4-one;2,2,2-trifluoroacetic acid
CID 25063606
2-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)-3-phenylbenzoic acid
CID 69325296
2-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)-3-phenylbenzoic acid;2,2,2-trifluoroacetic acid
CID 69325295

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[5-(3-fluorophenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one?
The IUPAC name of 2-amino-5-[5-(3-fluorophenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one (CID 59388755) is 2-amino-5-[5-(3-fluorophenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[5-(3-fluorophenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one?
The canonical SMILES for 2-amino-5-[5-(3-fluorophenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one is CN1C(=O)C(c2ccccc2)(c2ccc(-c3cccc(F)c3)s2)N=C1N.
What is the InChIKey of 2-amino-5-[5-(3-fluorophenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one?
The InChIKey is LBGICMZACFJNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3OS/c1-24-18(25)20(23-19(24)22,14-7-3-2-4-8-14)17-11-10-16(26-17)13-6-5-9-15(21)12-13/h2-12H,1H3,(H2,22,23).
What are the key properties of 2-amino-5-[5-(3-fluorophenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one?
2-amino-5-[5-(3-fluorophenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one has a molecular weight of 365.43 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[5-(3-fluorophenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one is sourced from PubChem (CID 59388755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).