2-amino-3-methyl-5-phenyl-5-[4-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]imidazol-4-one

C21H16F3N3O2S — CID 59386861

IUPAC2-amino-3-methyl-5-phenyl-5-[4-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]imidazol-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2cc(-c3cccc(OC(F)(F)F)c3)cs2)N=C1N
InChIInChI=1S/C21H16F3N3O2S/c1-27-18(28)20(26-19(27)25,15-7-3-2-4-8-15)17-11-14(12-30-17)13-6-5-9-16(10-13)29-21(22,23)24/h2-12H,1H3,(H2,25,26)
InChIKeyBROCRLOJQHHZRN-UHFFFAOYSA-N
MW431.44 g/mol
LogP4.34
Rot. Bonds4

About 2-amino-3-methyl-5-phenyl-5-[4-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]imidazol-4-one

2-amino-3-methyl-5-phenyl-5-[4-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]imidazol-4-one (PubChem CID 59386861) has the molecular formula C21H16F3N3O2S and a molecular weight of 431.44 g/mol. Its IUPAC name is 2-amino-3-methyl-5-phenyl-5-[4-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]imidazol-4-one.

Molecular Properties

Compound Name2-amino-3-methyl-5-phenyl-5-[4-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]imidazol-4-one
PubChem CID59386861
Molecular FormulaC21H16F3N3O2S
Molecular Weight431.44 g/mol
Exact Mass431.09
IUPAC Name2-amino-3-methyl-5-phenyl-5-[4-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]imidazol-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2cc(-c3cccc(OC(F)(F)F)c3)cs2)N=C1N
InChIInChI=1S/C21H16F3N3O2S/c1-27-18(28)20(26-19(27)25,15-7-3-2-4-8-15)17-11-14(12-30-17)13-6-5-9-16(10-13)29-21(22,23)24/h2-12H,1H3,(H2,25,26)
InChIKeyBROCRLOJQHHZRN-UHFFFAOYSA-N
XLogP4.34
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-3-methyl-5-phenyl-5-[4-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]imidazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-5-phenyl-5-[4-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]imidazol-4-one?
The IUPAC name of 2-amino-3-methyl-5-phenyl-5-[4-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]imidazol-4-one (CID 59386861) is 2-amino-3-methyl-5-phenyl-5-[4-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]imidazol-4-one.
What is the SMILES notation for 2-amino-3-methyl-5-phenyl-5-[4-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]imidazol-4-one?
The canonical SMILES for 2-amino-3-methyl-5-phenyl-5-[4-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]imidazol-4-one is CN1C(=O)C(c2ccccc2)(c2cc(-c3cccc(OC(F)(F)F)c3)cs2)N=C1N.
What is the InChIKey of 2-amino-3-methyl-5-phenyl-5-[4-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]imidazol-4-one?
The InChIKey is BROCRLOJQHHZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2S/c1-27-18(28)20(26-19(27)25,15-7-3-2-4-8-15)17-11-14(12-30-17)13-6-5-9-16(10-13)29-21(22,23)24/h2-12H,1H3,(H2,25,26).
What are the key properties of 2-amino-3-methyl-5-phenyl-5-[4-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]imidazol-4-one?
2-amino-3-methyl-5-phenyl-5-[4-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]imidazol-4-one has a molecular weight of 431.44 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-5-phenyl-5-[4-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]imidazol-4-one is sourced from PubChem (CID 59386861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).