4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid

C20H24F3N3O4 — CID 154892075

IUPAC4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(-c2nc(C3CC(=O)N(C(C)C)C3)[nH]c2C)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H23N3O2.C2HF3O2/c1-11(2)21-10-14(9-16(21)22)18-19-12(3)17(20-18)13-5-7-15(23-4)8-6-13;3-2(4,5)1(6)7/h5-8,11,14H,9-10H2,1-4H3,(H,19,20);(H,6,7)
InChIKeyPLMJZFMGBDMPEZ-UHFFFAOYSA-N
MW427.42 g/mol
LogP3.75
Rot. Bonds4

About 4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid

4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 154892075) has the molecular formula C20H24F3N3O4 and a molecular weight of 427.42 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid
PubChem CID154892075
Molecular FormulaC20H24F3N3O4
Molecular Weight427.42 g/mol
Exact Mass427.17
IUPAC Name4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(-c2nc(C3CC(=O)N(C(C)C)C3)[nH]c2C)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H23N3O2.C2HF3O2/c1-11(2)21-10-14(9-16(21)22)18-19-12(3)17(20-18)13-5-7-15(23-4)8-6-13;3-2(4,5)1(6)7/h5-8,11,14H,9-10H2,1-4H3,(H,19,20);(H,6,7)
InChIKeyPLMJZFMGBDMPEZ-UHFFFAOYSA-N
XLogP3.75
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.42
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid (CID 154892075) is 4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid is COc1ccc(-c2nc(C3CC(=O)N(C(C)C)C3)[nH]c2C)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is PLMJZFMGBDMPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2.C2HF3O2/c1-11(2)21-10-14(9-16(21)22)18-19-12(3)17(20-18)13-5-7-15(23-4)8-6-13;3-2(4,5)1(6)7/h5-8,11,14H,9-10H2,1-4H3,(H,19,20);(H,6,7).
What are the key properties of 4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid?
4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 427.42 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154892075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).