(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(3,3,3-trifluoropropoxy)phenyl]imidazol-4-one

C20H18F5N3O3 — CID 52942212

IUPAC(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(3,3,3-trifluoropropoxy)phenyl]imidazol-4-one
SMILESCN1C(=O)[C@@](c2ccc(OC(F)F)cc2)(c2cccc(OCCC(F)(F)F)c2)N=C1N
InChIInChI=1S/C20H18F5N3O3/c1-28-16(29)20(27-18(28)26,12-5-7-14(8-6-12)31-17(21)22)13-3-2-4-15(11-13)30-10-9-19(23,24)25/h2-8,11,17H,9-10H2,1H3,(H2,26,27)/t20-/m1/s1
InChIKeyQLEGEHLCGYEGPB-HXUWFJFHSA-N
MW443.37 g/mol
LogP3.65
Rot. Bonds7

About (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(3,3,3-trifluoropropoxy)phenyl]imidazol-4-one

(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(3,3,3-trifluoropropoxy)phenyl]imidazol-4-one (PubChem CID 52942212) has the molecular formula C20H18F5N3O3 and a molecular weight of 443.37 g/mol. Its IUPAC name is (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(3,3,3-trifluoropropoxy)phenyl]imidazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(3,3,3-trifluoropropoxy)phenyl]imidazol-4-one
PubChem CID52942212
Molecular FormulaC20H18F5N3O3
Molecular Weight443.37 g/mol
Exact Mass443.13
IUPAC Name(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(3,3,3-trifluoropropoxy)phenyl]imidazol-4-one
SMILESCN1C(=O)[C@@](c2ccc(OC(F)F)cc2)(c2cccc(OCCC(F)(F)F)c2)N=C1N
InChIInChI=1S/C20H18F5N3O3/c1-28-16(29)20(27-18(28)26,12-5-7-14(8-6-12)31-17(21)22)13-3-2-4-15(11-13)30-10-9-19(23,24)25/h2-8,11,17H,9-10H2,1H3,(H2,26,27)/t20-/m1/s1
InChIKeyQLEGEHLCGYEGPB-HXUWFJFHSA-N
XLogP3.65
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(3,3,3-trifluoropropoxy)phenyl]imidazol-4-one?
The IUPAC name of (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(3,3,3-trifluoropropoxy)phenyl]imidazol-4-one (CID 52942212) is (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(3,3,3-trifluoropropoxy)phenyl]imidazol-4-one.
What is the SMILES notation for (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(3,3,3-trifluoropropoxy)phenyl]imidazol-4-one?
The canonical SMILES for (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(3,3,3-trifluoropropoxy)phenyl]imidazol-4-one is CN1C(=O)[C@@](c2ccc(OC(F)F)cc2)(c2cccc(OCCC(F)(F)F)c2)N=C1N.
What is the InChIKey of (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(3,3,3-trifluoropropoxy)phenyl]imidazol-4-one?
The InChIKey is QLEGEHLCGYEGPB-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H18F5N3O3/c1-28-16(29)20(27-18(28)26,12-5-7-14(8-6-12)31-17(21)22)13-3-2-4-15(11-13)30-10-9-19(23,24)25/h2-8,11,17H,9-10H2,1H3,(H2,26,27)/t20-/m1/s1.
What are the key properties of (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(3,3,3-trifluoropropoxy)phenyl]imidazol-4-one?
(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(3,3,3-trifluoropropoxy)phenyl]imidazol-4-one has a molecular weight of 443.37 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(3,3,3-trifluoropropoxy)phenyl]imidazol-4-one is sourced from PubChem (CID 52942212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).