1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one

C21H19F3N4O2 — CID 91824780

IUPAC1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one
SMILESCOc1cc(N2CCN(Cc3cccc(C(F)(F)F)c3)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C21H19F3N4O2/c1-30-19-10-17(5-6-18(19)15-11-25-26-12-15)28-8-7-27(20(28)29)13-14-3-2-4-16(9-14)21(22,23)24/h2-6,9-12H,7-8,13H2,1H3,(H,25,26)
InChIKeyPXEZZCGSOVANTH-UHFFFAOYSA-N
MW416.40 g/mol
LogP4.55
Rot. Bonds5

About 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one

1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one (PubChem CID 91824780) has the molecular formula C21H19F3N4O2 and a molecular weight of 416.40 g/mol. Its IUPAC name is 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one
PubChem CID91824780
Molecular FormulaC21H19F3N4O2
Molecular Weight416.40 g/mol
Exact Mass416.15
IUPAC Name1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one
SMILESCOc1cc(N2CCN(Cc3cccc(C(F)(F)F)c3)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C21H19F3N4O2/c1-30-19-10-17(5-6-18(19)15-11-25-26-12-15)28-8-7-27(20(28)29)13-14-3-2-4-16(9-14)21(22,23)24/h2-6,9-12H,7-8,13H2,1H3,(H,25,26)
InChIKeyPXEZZCGSOVANTH-UHFFFAOYSA-N
XLogP4.55
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one?
The IUPAC name of 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one (CID 91824780) is 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one is COc1cc(N2CCN(Cc3cccc(C(F)(F)F)c3)C2=O)ccc1-c1cn[nH]c1.
What is the InChIKey of 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one?
The InChIKey is PXEZZCGSOVANTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O2/c1-30-19-10-17(5-6-18(19)15-11-25-26-12-15)28-8-7-27(20(28)29)13-14-3-2-4-16(9-14)21(22,23)24/h2-6,9-12H,7-8,13H2,1H3,(H,25,26).
What are the key properties of 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one?
1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one has a molecular weight of 416.40 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one is sourced from PubChem (CID 91824780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).