1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-[(1-fluorocyclobutyl)methoxy]-5-(trifluoromethyl)phenyl]-4-methylimidazol-2-one

C22H24F4N4O2 — CID 168862926

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-[(1-fluorocyclobutyl)methoxy]-5-(trifluoromethyl)phenyl]-4-methylimidazol-2-one
SMILESCCn1cc(Cn2cc(C)n(-c3cc(OCC4(F)CCC4)cc(C(F)(F)F)c3)c2=O)cn1
InChIInChI=1S/C22H24F4N4O2/c1-3-29-13-16(10-27-29)12-28-11-15(2)30(20(28)31)18-7-17(22(24,25)26)8-19(9-18)32-14-21(23)5-4-6-21/h7-11,13H,3-6,12,14H2,1-2H3
InChIKeyXTAXDBNDUWQNLJ-UHFFFAOYSA-N
MW452.45 g/mol
LogP4.50
Rot. Bonds7

About 1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-[(1-fluorocyclobutyl)methoxy]-5-(trifluoromethyl)phenyl]-4-methylimidazol-2-one

1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-[(1-fluorocyclobutyl)methoxy]-5-(trifluoromethyl)phenyl]-4-methylimidazol-2-one (PubChem CID 168862926) has the molecular formula C22H24F4N4O2 and a molecular weight of 452.45 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-[(1-fluorocyclobutyl)methoxy]-5-(trifluoromethyl)phenyl]-4-methylimidazol-2-one.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-[(1-fluorocyclobutyl)methoxy]-5-(trifluoromethyl)phenyl]-4-methylimidazol-2-one
PubChem CID168862926
Molecular FormulaC22H24F4N4O2
Molecular Weight452.45 g/mol
Exact Mass452.18
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-[(1-fluorocyclobutyl)methoxy]-5-(trifluoromethyl)phenyl]-4-methylimidazol-2-one
SMILESCCn1cc(Cn2cc(C)n(-c3cc(OCC4(F)CCC4)cc(C(F)(F)F)c3)c2=O)cn1
InChIInChI=1S/C22H24F4N4O2/c1-3-29-13-16(10-27-29)12-28-11-15(2)30(20(28)31)18-7-17(22(24,25)26)8-19(9-18)32-14-21(23)5-4-6-21/h7-11,13H,3-6,12,14H2,1-2H3
InChIKeyXTAXDBNDUWQNLJ-UHFFFAOYSA-N
XLogP4.50
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.45
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-[(1-fluorocyclobutyl)methoxy]-5-(trifluoromethyl)phenyl]-4-methylimidazol-2-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 1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-[(1-fluorocyclobutyl)methoxy]-5-(trifluoromethyl)phenyl]-4-methylimidazol-2-one?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-[(1-fluorocyclobutyl)methoxy]-5-(trifluoromethyl)phenyl]-4-methylimidazol-2-one (CID 168862926) is 1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-[(1-fluorocyclobutyl)methoxy]-5-(trifluoromethyl)phenyl]-4-methylimidazol-2-one.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-[(1-fluorocyclobutyl)methoxy]-5-(trifluoromethyl)phenyl]-4-methylimidazol-2-one?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-[(1-fluorocyclobutyl)methoxy]-5-(trifluoromethyl)phenyl]-4-methylimidazol-2-one is CCn1cc(Cn2cc(C)n(-c3cc(OCC4(F)CCC4)cc(C(F)(F)F)c3)c2=O)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-[(1-fluorocyclobutyl)methoxy]-5-(trifluoromethyl)phenyl]-4-methylimidazol-2-one?
The InChIKey is XTAXDBNDUWQNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F4N4O2/c1-3-29-13-16(10-27-29)12-28-11-15(2)30(20(28)31)18-7-17(22(24,25)26)8-19(9-18)32-14-21(23)5-4-6-21/h7-11,13H,3-6,12,14H2,1-2H3.
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-[(1-fluorocyclobutyl)methoxy]-5-(trifluoromethyl)phenyl]-4-methylimidazol-2-one?
1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-[(1-fluorocyclobutyl)methoxy]-5-(trifluoromethyl)phenyl]-4-methylimidazol-2-one has a molecular weight of 452.45 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-[(1-fluorocyclobutyl)methoxy]-5-(trifluoromethyl)phenyl]-4-methylimidazol-2-one is sourced from PubChem (CID 168862926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).