(5R)-2-amino-5-[4-(difluoromethoxy)-3-ethenylphenyl]-3-methyl-5-phenylimidazol-4-one

C19H17F2N3O2 — CID 69002381

IUPAC(5R)-2-amino-5-[4-(difluoromethoxy)-3-ethenylphenyl]-3-methyl-5-phenylimidazol-4-one
SMILESC=Cc1cc([C@@]2(c3ccccc3)N=C(N)N(C)C2=O)ccc1OC(F)F
InChIInChI=1S/C19H17F2N3O2/c1-3-12-11-14(9-10-15(12)26-17(20)21)19(13-7-5-4-6-8-13)16(25)24(2)18(22)23-19/h3-11,17H,1H2,2H3,(H2,22,23)/t19-/m1/s1
InChIKeyXJHPWGDVWPDPQG-LJQANCHMSA-N
MW357.36 g/mol
LogP2.96
Rot. Bonds5

About (5R)-2-amino-5-[4-(difluoromethoxy)-3-ethenylphenyl]-3-methyl-5-phenylimidazol-4-one

(5R)-2-amino-5-[4-(difluoromethoxy)-3-ethenylphenyl]-3-methyl-5-phenylimidazol-4-one (PubChem CID 69002381) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is (5R)-2-amino-5-[4-(difluoromethoxy)-3-ethenylphenyl]-3-methyl-5-phenylimidazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-[4-(difluoromethoxy)-3-ethenylphenyl]-3-methyl-5-phenylimidazol-4-one
PubChem CID69002381
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC Name(5R)-2-amino-5-[4-(difluoromethoxy)-3-ethenylphenyl]-3-methyl-5-phenylimidazol-4-one
SMILESC=Cc1cc([C@@]2(c3ccccc3)N=C(N)N(C)C2=O)ccc1OC(F)F
InChIInChI=1S/C19H17F2N3O2/c1-3-12-11-14(9-10-15(12)26-17(20)21)19(13-7-5-4-6-8-13)16(25)24(2)18(22)23-19/h3-11,17H,1H2,2H3,(H2,22,23)/t19-/m1/s1
InChIKeyXJHPWGDVWPDPQG-LJQANCHMSA-N
XLogP2.96
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-[4-(difluoromethoxy)-3-propylphenyl]-3-methyl-5-phenylimidazol-4-one
CID 25071168
2-amino-5-[4-(difluoromethoxy)-3-(2-fluoroethyl)phenyl]-3-methyl-5-phenylimidazol-4-one
CID 25073051
2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-[(Z)-prop-1-enyl]phenyl]-3-methylimidazol-4-one
CID 25125321
(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-(4-fluoro-3-prop-1-enylphenyl)-3-methylimidazol-4-one
CID 67537147
(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(2-methylbut-3-enoxy)phenyl]imidazol-4-one
CID 25127295
2-amino-5-[3-[(E)-2-cyclopropyl-1-fluoroethenyl]phenyl]-5-[4-(difluoromethoxy)phenyl]-3-methylimidazol-4-one
CID 25196989
2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(1-methylpyrazol-4-yl)imidazol-4-one
CID 138468759
2-amino-5-[4-(difluoromethoxy)phenyl]-5-(3-hydroxyphenyl)-3-methylimidazol-4-one;1-[4-(difluoromethoxy)phenyl]-2-(3-hydroxyphenyl)ethane-1,2-dione
CID 159895842
2-amino-5-[4-(difluoromethoxy)-3-ethylphenyl]-5-[4-fluoro-3-(fluoromethyl)phenyl]-3-methylimidazol-4-one
CID 71032909
2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(3-hydroxybutyl)phenyl]-3-methylimidazol-4-one
CID 67565324
2-amino-5-[3-chloro-4-(difluoromethoxy)phenyl]-5-[3-(4-fluorobut-1-enyl)phenyl]-3-methylimidazol-4-one
CID 68994910
(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(3-fluoroprop-1-ynyl)phenyl]-3-methylimidazol-4-one
CID 52944411

Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-5-[4-(difluoromethoxy)-3-ethenylphenyl]-3-methyl-5-phenylimidazol-4-one?
The IUPAC name of (5R)-2-amino-5-[4-(difluoromethoxy)-3-ethenylphenyl]-3-methyl-5-phenylimidazol-4-one (CID 69002381) is (5R)-2-amino-5-[4-(difluoromethoxy)-3-ethenylphenyl]-3-methyl-5-phenylimidazol-4-one.
What is the SMILES notation for (5R)-2-amino-5-[4-(difluoromethoxy)-3-ethenylphenyl]-3-methyl-5-phenylimidazol-4-one?
The canonical SMILES for (5R)-2-amino-5-[4-(difluoromethoxy)-3-ethenylphenyl]-3-methyl-5-phenylimidazol-4-one is C=Cc1cc([C@@]2(c3ccccc3)N=C(N)N(C)C2=O)ccc1OC(F)F.
What is the InChIKey of (5R)-2-amino-5-[4-(difluoromethoxy)-3-ethenylphenyl]-3-methyl-5-phenylimidazol-4-one?
The InChIKey is XJHPWGDVWPDPQG-LJQANCHMSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c1-3-12-11-14(9-10-15(12)26-17(20)21)19(13-7-5-4-6-8-13)16(25)24(2)18(22)23-19/h3-11,17H,1H2,2H3,(H2,22,23)/t19-/m1/s1.
What are the key properties of (5R)-2-amino-5-[4-(difluoromethoxy)-3-ethenylphenyl]-3-methyl-5-phenylimidazol-4-one?
(5R)-2-amino-5-[4-(difluoromethoxy)-3-ethenylphenyl]-3-methyl-5-phenylimidazol-4-one has a molecular weight of 357.36 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-5-[4-(difluoromethoxy)-3-ethenylphenyl]-3-methyl-5-phenylimidazol-4-one is sourced from PubChem (CID 69002381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).