(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(2-fluoroethoxy)phenyl]-3-methylimidazol-4-one

C19H17F4N3O3 — CID 52947103

IUPAC(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(2-fluoroethoxy)phenyl]-3-methylimidazol-4-one
SMILESCN1C(=O)[C@@](c2ccc(OC(F)F)cc2)(c2ccc(F)c(OCCF)c2)N=C1N
InChIInChI=1S/C19H17F4N3O3/c1-26-16(27)19(25-18(26)24,11-2-5-13(6-3-11)29-17(22)23)12-4-7-14(21)15(10-12)28-9-8-20/h2-7,10,17H,8-9H2,1H3,(H2,24,25)/t19-/m1/s1
InChIKeyGAFZVIRMFXBSMI-LJQANCHMSA-N
MW411.36 g/mol
LogP2.81
Rot. Bonds7

About (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(2-fluoroethoxy)phenyl]-3-methylimidazol-4-one

(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(2-fluoroethoxy)phenyl]-3-methylimidazol-4-one (PubChem CID 52947103) has the molecular formula C19H17F4N3O3 and a molecular weight of 411.36 g/mol. Its IUPAC name is (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(2-fluoroethoxy)phenyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(2-fluoroethoxy)phenyl]-3-methylimidazol-4-one
PubChem CID52947103
Molecular FormulaC19H17F4N3O3
Molecular Weight411.36 g/mol
Exact Mass411.12
IUPAC Name(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(2-fluoroethoxy)phenyl]-3-methylimidazol-4-one
SMILESCN1C(=O)[C@@](c2ccc(OC(F)F)cc2)(c2ccc(F)c(OCCF)c2)N=C1N
InChIInChI=1S/C19H17F4N3O3/c1-26-16(27)19(25-18(26)24,11-2-5-13(6-3-11)29-17(22)23)12-4-7-14(21)15(10-12)28-9-8-20/h2-7,10,17H,8-9H2,1H3,(H2,24,25)/t19-/m1/s1
InChIKeyGAFZVIRMFXBSMI-LJQANCHMSA-N
XLogP2.81
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.36
LogP ≤ 52.81
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]-5-[4-fluoro-3-(2-fluoroethoxy)phenyl]-3-methylimidazol-4-one?
The IUPAC name of (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(2-fluoroethoxy)phenyl]-3-methylimidazol-4-one (CID 52947103) is (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(2-fluoroethoxy)phenyl]-3-methylimidazol-4-one.
What is the SMILES notation for (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(2-fluoroethoxy)phenyl]-3-methylimidazol-4-one?
The canonical SMILES for (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(2-fluoroethoxy)phenyl]-3-methylimidazol-4-one is CN1C(=O)[C@@](c2ccc(OC(F)F)cc2)(c2ccc(F)c(OCCF)c2)N=C1N.
What is the InChIKey of (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(2-fluoroethoxy)phenyl]-3-methylimidazol-4-one?
The InChIKey is GAFZVIRMFXBSMI-LJQANCHMSA-N. The full InChI is InChI=1S/C19H17F4N3O3/c1-26-16(27)19(25-18(26)24,11-2-5-13(6-3-11)29-17(22)23)12-4-7-14(21)15(10-12)28-9-8-20/h2-7,10,17H,8-9H2,1H3,(H2,24,25)/t19-/m1/s1.
What are the key properties of (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(2-fluoroethoxy)phenyl]-3-methylimidazol-4-one?
(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(2-fluoroethoxy)phenyl]-3-methylimidazol-4-one has a molecular weight of 411.36 g/mol, XLogP of 2.81, 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]-5-[4-fluoro-3-(2-fluoroethoxy)phenyl]-3-methylimidazol-4-one is sourced from PubChem (CID 52947103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).