4-hydroxy-1-[morpholin-3-yl(pyridin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one

C20H19F3N4O4 — CID 90832525

IUPAC4-hydroxy-1-[morpholin-3-yl(pyridin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one
SMILESO=c1n(C(c2ccncc2)C2COCCN2)cc(O)n1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H19F3N4O4/c21-20(22,23)31-15-3-1-14(2-4-15)27-17(28)11-26(19(27)29)18(13-5-7-24-8-6-13)16-12-30-10-9-25-16/h1-8,11,16,18,25,28H,9-10,12H2
InChIKeyDTOYQQNVCFOWLW-UHFFFAOYSA-N
MW436.39 g/mol
LogP2.22
Rot. Bonds5

About 4-hydroxy-1-[morpholin-3-yl(pyridin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one

4-hydroxy-1-[morpholin-3-yl(pyridin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one (PubChem CID 90832525) has the molecular formula C20H19F3N4O4 and a molecular weight of 436.39 g/mol. Its IUPAC name is 4-hydroxy-1-[morpholin-3-yl(pyridin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-1-[morpholin-3-yl(pyridin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one
PubChem CID90832525
Molecular FormulaC20H19F3N4O4
Molecular Weight436.39 g/mol
Exact Mass436.14
IUPAC Name4-hydroxy-1-[morpholin-3-yl(pyridin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one
SMILESO=c1n(C(c2ccncc2)C2COCCN2)cc(O)n1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H19F3N4O4/c21-20(22,23)31-15-3-1-14(2-4-15)27-17(28)11-26(19(27)29)18(13-5-7-24-8-6-13)16-12-30-10-9-25-16/h1-8,11,16,18,25,28H,9-10,12H2
InChIKeyDTOYQQNVCFOWLW-UHFFFAOYSA-N
XLogP2.22
TPSA90.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[morpholin-3-yl(pyridin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one?
The IUPAC name of 4-hydroxy-1-[morpholin-3-yl(pyridin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one (CID 90832525) is 4-hydroxy-1-[morpholin-3-yl(pyridin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one.
What is the SMILES notation for 4-hydroxy-1-[morpholin-3-yl(pyridin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one?
The canonical SMILES for 4-hydroxy-1-[morpholin-3-yl(pyridin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one is O=c1n(C(c2ccncc2)C2COCCN2)cc(O)n1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-hydroxy-1-[morpholin-3-yl(pyridin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one?
The InChIKey is DTOYQQNVCFOWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O4/c21-20(22,23)31-15-3-1-14(2-4-15)27-17(28)11-26(19(27)29)18(13-5-7-24-8-6-13)16-12-30-10-9-25-16/h1-8,11,16,18,25,28H,9-10,12H2.
What are the key properties of 4-hydroxy-1-[morpholin-3-yl(pyridin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one?
4-hydroxy-1-[morpholin-3-yl(pyridin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one has a molecular weight of 436.39 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[morpholin-3-yl(pyridin-4-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one is sourced from PubChem (CID 90832525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).