(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(3,3-difluoropropoxy)phenyl]-3-methylimidazol-4-one

C20H19F4N3O3 — CID 52943334

IUPAC(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(3,3-difluoropropoxy)phenyl]-3-methylimidazol-4-one
SMILESCN1C(=O)[C@@](c2ccc(OC(F)F)cc2)(c2cccc(OCCC(F)F)c2)N=C1N
InChIInChI=1S/C20H19F4N3O3/c1-27-17(28)20(26-19(27)25,12-5-7-14(8-6-12)30-18(23)24)13-3-2-4-15(11-13)29-10-9-16(21)22/h2-8,11,16,18H,9-10H2,1H3,(H2,25,26)/t20-/m1/s1
InChIKeyQCXKTZFBYUONCU-HXUWFJFHSA-N
MW425.38 g/mol
LogP3.35
Rot. Bonds8

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

(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(3,3-difluoropropoxy)phenyl]-3-methylimidazol-4-one (PubChem CID 52943334) has the molecular formula C20H19F4N3O3 and a molecular weight of 425.38 g/mol. Its IUPAC name is (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(3,3-difluoropropoxy)phenyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(3,3-difluoropropoxy)phenyl]-3-methylimidazol-4-one
PubChem CID52943334
Molecular FormulaC20H19F4N3O3
Molecular Weight425.38 g/mol
Exact Mass425.14
IUPAC Name(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(3,3-difluoropropoxy)phenyl]-3-methylimidazol-4-one
SMILESCN1C(=O)[C@@](c2ccc(OC(F)F)cc2)(c2cccc(OCCC(F)F)c2)N=C1N
InChIInChI=1S/C20H19F4N3O3/c1-27-17(28)20(26-19(27)25,12-5-7-14(8-6-12)30-18(23)24)13-3-2-4-15(11-13)29-10-9-16(21)22/h2-8,11,16,18H,9-10H2,1H3,(H2,25,26)/t20-/m1/s1
InChIKeyQCXKTZFBYUONCU-HXUWFJFHSA-N
XLogP3.35
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(3,3-difluoropropoxy)phenyl]-3-methylimidazol-4-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 (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(3,3-difluoropropoxy)phenyl]-3-methylimidazol-4-one?
The IUPAC name of (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(3,3-difluoropropoxy)phenyl]-3-methylimidazol-4-one (CID 52943334) is (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(3,3-difluoropropoxy)phenyl]-3-methylimidazol-4-one.
What is the SMILES notation for (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(3,3-difluoropropoxy)phenyl]-3-methylimidazol-4-one?
The canonical SMILES for (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(3,3-difluoropropoxy)phenyl]-3-methylimidazol-4-one is CN1C(=O)[C@@](c2ccc(OC(F)F)cc2)(c2cccc(OCCC(F)F)c2)N=C1N.
What is the InChIKey of (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(3,3-difluoropropoxy)phenyl]-3-methylimidazol-4-one?
The InChIKey is QCXKTZFBYUONCU-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H19F4N3O3/c1-27-17(28)20(26-19(27)25,12-5-7-14(8-6-12)30-18(23)24)13-3-2-4-15(11-13)29-10-9-16(21)22/h2-8,11,16,18H,9-10H2,1H3,(H2,25,26)/t20-/m1/s1.
What are the key properties of (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(3,3-difluoropropoxy)phenyl]-3-methylimidazol-4-one?
(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(3,3-difluoropropoxy)phenyl]-3-methylimidazol-4-one has a molecular weight of 425.38 g/mol, XLogP of 3.35, 8 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-[3-(3,3-difluoropropoxy)phenyl]-3-methylimidazol-4-one is sourced from PubChem (CID 52943334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).