2-amino-5-(4-methoxyphenyl)-5-[3-(3-methoxyphenyl)phenyl]-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid

C26H24F3N3O5 — CID 25063397

IUPAC2-amino-5-(4-methoxyphenyl)-5-[3-(3-methoxyphenyl)phenyl]-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(C2(c3cccc(-c4cccc(OC)c4)c3)N=C(N)N(C)C2=O)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H23N3O3.C2HF3O2/c1-27-22(28)24(26-23(27)25,18-10-12-20(29-2)13-11-18)19-8-4-6-16(14-19)17-7-5-9-21(15-17)30-3;3-2(4,5)1(6)7/h4-15H,1-3H3,(H2,25,26);(H,6,7)
InChIKeyBUWZUVYHAACFSY-UHFFFAOYSA-N
MW515.49 g/mol
LogP4.03
Rot. Bonds5

About 2-amino-5-(4-methoxyphenyl)-5-[3-(3-methoxyphenyl)phenyl]-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid

2-amino-5-(4-methoxyphenyl)-5-[3-(3-methoxyphenyl)phenyl]-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid (PubChem CID 25063397) has the molecular formula C26H24F3N3O5 and a molecular weight of 515.49 g/mol. Its IUPAC name is 2-amino-5-(4-methoxyphenyl)-5-[3-(3-methoxyphenyl)phenyl]-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-amino-5-(4-methoxyphenyl)-5-[3-(3-methoxyphenyl)phenyl]-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid
PubChem CID25063397
Molecular FormulaC26H24F3N3O5
Molecular Weight515.49 g/mol
Exact Mass515.17
IUPAC Name2-amino-5-(4-methoxyphenyl)-5-[3-(3-methoxyphenyl)phenyl]-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(C2(c3cccc(-c4cccc(OC)c4)c3)N=C(N)N(C)C2=O)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H23N3O3.C2HF3O2/c1-27-22(28)24(26-23(27)25,18-10-12-20(29-2)13-11-18)19-8-4-6-16(14-19)17-7-5-9-21(15-17)30-3;3-2(4,5)1(6)7/h4-15H,1-3H3,(H2,25,26);(H,6,7)
InChIKeyBUWZUVYHAACFSY-UHFFFAOYSA-N
XLogP4.03
TPSA114.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.49
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-methoxyphenyl)-5-[3-(3-methoxyphenyl)phenyl]-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-amino-5-(4-methoxyphenyl)-5-[3-(3-methoxyphenyl)phenyl]-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid (CID 25063397) is 2-amino-5-(4-methoxyphenyl)-5-[3-(3-methoxyphenyl)phenyl]-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-amino-5-(4-methoxyphenyl)-5-[3-(3-methoxyphenyl)phenyl]-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-amino-5-(4-methoxyphenyl)-5-[3-(3-methoxyphenyl)phenyl]-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid is COc1ccc(C2(c3cccc(-c4cccc(OC)c4)c3)N=C(N)N(C)C2=O)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-5-(4-methoxyphenyl)-5-[3-(3-methoxyphenyl)phenyl]-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid?
The InChIKey is BUWZUVYHAACFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3.C2HF3O2/c1-27-22(28)24(26-23(27)25,18-10-12-20(29-2)13-11-18)19-8-4-6-16(14-19)17-7-5-9-21(15-17)30-3;3-2(4,5)1(6)7/h4-15H,1-3H3,(H2,25,26);(H,6,7).
What are the key properties of 2-amino-5-(4-methoxyphenyl)-5-[3-(3-methoxyphenyl)phenyl]-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid?
2-amino-5-(4-methoxyphenyl)-5-[3-(3-methoxyphenyl)phenyl]-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid has a molecular weight of 515.49 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-methoxyphenyl)-5-[3-(3-methoxyphenyl)phenyl]-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 25063397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).