(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-(4-fluoro-3-prop-1-enylphenyl)-3-methylimidazol-4-one

C20H18F3N3O2 — CID 67537147

IUPAC(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-(4-fluoro-3-prop-1-enylphenyl)-3-methylimidazol-4-one
SMILESCC=Cc1cc([C@@]2(c3ccc(OC(F)F)cc3)N=C(N)N(C)C2=O)ccc1F
InChIInChI=1S/C20H18F3N3O2/c1-3-4-12-11-14(7-10-16(12)21)20(17(27)26(2)19(24)25-20)13-5-8-15(9-6-13)28-18(22)23/h3-11,18H,1-2H3,(H2,24,25)/t20-/m1/s1
InChIKeyWBTJBBGLGRKVFF-HXUWFJFHSA-N
MW389.38 g/mol
LogP3.49
Rot. Bonds5

About (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-(4-fluoro-3-prop-1-enylphenyl)-3-methylimidazol-4-one

(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-(4-fluoro-3-prop-1-enylphenyl)-3-methylimidazol-4-one (PubChem CID 67537147) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-(4-fluoro-3-prop-1-enylphenyl)-3-methylimidazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-(4-fluoro-3-prop-1-enylphenyl)-3-methylimidazol-4-one
PubChem CID67537147
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-(4-fluoro-3-prop-1-enylphenyl)-3-methylimidazol-4-one
SMILESCC=Cc1cc([C@@]2(c3ccc(OC(F)F)cc3)N=C(N)N(C)C2=O)ccc1F
InChIInChI=1S/C20H18F3N3O2/c1-3-4-12-11-14(7-10-16(12)21)20(17(27)26(2)19(24)25-20)13-5-8-15(9-6-13)28-18(22)23/h3-11,18H,1-2H3,(H2,24,25)/t20-/m1/s1
InChIKeyWBTJBBGLGRKVFF-HXUWFJFHSA-N
XLogP3.49
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one
CID 17749735
(R)-5-Adamantan-1-yl-2-amino-5-(4-methoxy-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one
CID 45488099
(S)-5-Adamantan-1-yl-2-amino-5-(4-methoxy-3-methyl-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one
CID 45488104
(5r)-2-Amino-5-[4-(Difluoromethoxy)phenyl]-5-[4-Fluoro-3-(5-Fluoropent-1-Yn-1-Yl)phenyl]-3-Methyl-3,5-Dihydro-4h-Imidazol-4-One
CID 52948140
(2e,5r)-2-Imino-5-(3'-Methoxybiphenyl-3-Yl)-3-Methyl-5-Phenylimidazolidin-4-One
CID 70681036
2-Amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
CID 11581511
2-Amino-6-(3'-methoxy-biphenyl-3-yl)-3,6-dimethyl-5,6-dihydro-3H-pyrimidin-4-one
CID 11594966
(R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl-4-(3-propylphenyl)-1H-imidazol-5(4H)-one
CID 16038399
5-(1-Adamantyl)-2-amino-5-(4-methoxyphenyl)-3-methylimidazol-4-one
CID 16050550
5-Adamantan-1-yl-2-amino-5-(4-ethoxy-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one
CID 16050551
5-Adamantan-1-yl-2-amino-5-(4-butoxy-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one
CID 16050552
5-Adamantan-1-yl-2-amino-5-(3-ethyl-4-methoxy-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one
CID 16050553

Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-(4-fluoro-3-prop-1-enylphenyl)-3-methylimidazol-4-one?
The IUPAC name of (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-(4-fluoro-3-prop-1-enylphenyl)-3-methylimidazol-4-one (CID 67537147) is (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-(4-fluoro-3-prop-1-enylphenyl)-3-methylimidazol-4-one.
What is the SMILES notation for (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-(4-fluoro-3-prop-1-enylphenyl)-3-methylimidazol-4-one?
The canonical SMILES for (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-(4-fluoro-3-prop-1-enylphenyl)-3-methylimidazol-4-one is CC=Cc1cc([C@@]2(c3ccc(OC(F)F)cc3)N=C(N)N(C)C2=O)ccc1F.
What is the InChIKey of (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-(4-fluoro-3-prop-1-enylphenyl)-3-methylimidazol-4-one?
The InChIKey is WBTJBBGLGRKVFF-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c1-3-4-12-11-14(7-10-16(12)21)20(17(27)26(2)19(24)25-20)13-5-8-15(9-6-13)28-18(22)23/h3-11,18H,1-2H3,(H2,24,25)/t20-/m1/s1.
What are the key properties of (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-(4-fluoro-3-prop-1-enylphenyl)-3-methylimidazol-4-one?
(5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-(4-fluoro-3-prop-1-enylphenyl)-3-methylimidazol-4-one has a molecular weight of 389.38 g/mol, XLogP of 3.49, 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)phenyl]-5-(4-fluoro-3-prop-1-enylphenyl)-3-methylimidazol-4-one is sourced from PubChem (CID 67537147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).