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

C21H19F3N4O3 — CID 118239014

IUPAC1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one
SMILESCOc1cc(N2CCN(Cc3cccc(OC(F)(F)F)c3)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C21H19F3N4O3/c1-30-19-10-16(5-6-18(19)15-11-25-26-12-15)28-8-7-27(20(28)29)13-14-3-2-4-17(9-14)31-21(22,23)24/h2-6,9-12H,7-8,13H2,1H3,(H,25,26)
InChIKeyJVLWADLBPRYBBF-UHFFFAOYSA-N
MW432.40 g/mol
LogP4.43
Rot. Bonds6

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

1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one (PubChem CID 118239014) has the molecular formula C21H19F3N4O3 and a molecular weight of 432.40 g/mol. Its IUPAC name is 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one
PubChem CID118239014
Molecular FormulaC21H19F3N4O3
Molecular Weight432.40 g/mol
Exact Mass432.14
IUPAC Name1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one
SMILESCOc1cc(N2CCN(Cc3cccc(OC(F)(F)F)c3)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C21H19F3N4O3/c1-30-19-10-16(5-6-18(19)15-11-25-26-12-15)28-8-7-27(20(28)29)13-14-3-2-4-17(9-14)31-21(22,23)24/h2-6,9-12H,7-8,13H2,1H3,(H,25,26)
InChIKeyJVLWADLBPRYBBF-UHFFFAOYSA-N
XLogP4.43
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one?
The IUPAC name of 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one (CID 118239014) is 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one is COc1cc(N2CCN(Cc3cccc(OC(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-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one?
The InChIKey is JVLWADLBPRYBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O3/c1-30-19-10-16(5-6-18(19)15-11-25-26-12-15)28-8-7-27(20(28)29)13-14-3-2-4-17(9-14)31-21(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-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one?
1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one has a molecular weight of 432.40 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one is sourced from PubChem (CID 118239014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).