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-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one

C42H38F6N8O5 — CID 159158062

IUPAC1-[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-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one
SMILESCOc1cc(N2CCN(Cc3cccc(C(F)(F)F)c3)C2=O)ccc1-c1cn[nH]c1.COc1cc(N2CCN(Cc3cccc(OC(F)(F)F)c3)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C21H19F3N4O3.C21H19F3N4O2/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;1-30-19-10-17(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);2-6,9-12H,7-8,13H2,1H3,(H,25,26)
InChIKeyKKDGYRSXICSMPE-UHFFFAOYSA-N
MW848.81 g/mol
LogP8.97
Rot. Bonds11

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-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one

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-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one (PubChem CID 159158062) has the molecular formula C42H38F6N8O5 and a molecular weight of 848.81 g/mol. Its IUPAC name is 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-(trifluoromethyl)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;1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one
PubChem CID159158062
Molecular FormulaC42H38F6N8O5
Molecular Weight848.81 g/mol
Exact Mass848.29
IUPAC Name1-[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-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one
SMILESCOc1cc(N2CCN(Cc3cccc(C(F)(F)F)c3)C2=O)ccc1-c1cn[nH]c1.COc1cc(N2CCN(Cc3cccc(OC(F)(F)F)c3)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C21H19F3N4O3.C21H19F3N4O2/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;1-30-19-10-17(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);2-6,9-12H,7-8,13H2,1H3,(H,25,26)
InChIKeyKKDGYRSXICSMPE-UHFFFAOYSA-N
XLogP8.97
TPSA132.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.81
LogP ≤ 58.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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-(trifluoromethyl)phenyl]methyl]imidazolidin-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-[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-(trifluoromethyl)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;1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one (CID 159158062) is 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-(trifluoromethyl)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;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-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one;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.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;1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one?
The InChIKey is KKDGYRSXICSMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O3.C21H19F3N4O2/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;1-30-19-10-17(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);2-6,9-12H,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-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one?
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-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one has a molecular weight of 848.81 g/mol, XLogP of 8.97, 11 rotatable bonds, 2 hydrogen bond donors, and 7 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;1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one is sourced from PubChem (CID 159158062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).