(4R)-2-amino-4-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)-1H-imidazol-5-one

C18H19N3O2 — CID 95655295

IUPAC(4R)-2-amino-4-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)-1H-imidazol-5-one
SMILESCOc1ccc(C[C@]2(c3ccc(C)cc3)N=C(N)NC2=O)cc1
InChIInChI=1S/C18H19N3O2/c1-12-3-7-14(8-4-12)18(16(22)20-17(19)21-18)11-13-5-9-15(23-2)10-6-13/h3-10H,11H2,1-2H3,(H3,19,20,21,22)/t18-/m1/s1
InChIKeyIFRNEWHTJLMTNF-GOSISDBHSA-N
MW309.37 g/mol
LogP1.89
Rot. Bonds4

About (4R)-2-amino-4-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)-1H-imidazol-5-one

(4R)-2-amino-4-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)-1H-imidazol-5-one (PubChem CID 95655295) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is (4R)-2-amino-4-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name(4R)-2-amino-4-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)-1H-imidazol-5-one
PubChem CID95655295
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name(4R)-2-amino-4-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)-1H-imidazol-5-one
SMILESCOc1ccc(C[C@]2(c3ccc(C)cc3)N=C(N)NC2=O)cc1
InChIInChI=1S/C18H19N3O2/c1-12-3-7-14(8-4-12)18(16(22)20-17(19)21-18)11-13-5-9-15(23-2)10-6-13/h3-10H,11H2,1-2H3,(H3,19,20,21,22)/t18-/m1/s1
InChIKeyIFRNEWHTJLMTNF-GOSISDBHSA-N
XLogP1.89
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-2-amino-4-[(4-bromophenyl)methyl]-4-(4-methoxyphenyl)-1H-imidazol-5-one
CID 95654799
4-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-one
CID 71698156
3-[(4-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 16577297
2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-phenylpropyl)imidazol-4-one
CID 44530118
1-(113C)methoxy-4-methylbenzene
CID 166176950
1-methoxy-4-methylbenzene;propane
CID 142064987
1-ethyl-4-methylbenzene;methane;1-methoxy-4-methylbenzene;1,4-xylene
CID 157430816
1-[2-bromo-2-(4-methoxyphenyl)ethyl]-4-methylbenzene
CID 63437164
2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-pyridin-3-ylpropyl)imidazol-4-one;2,2,2-trifluoroacetic acid
CID 44530234
(1R,5S)-1-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 12719822
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
ethane;1-methoxy-4-(4-methylphenoxy)benzene;sulfur monoxide
CID 91209459

Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-4-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)-1H-imidazol-5-one?
The IUPAC name of (4R)-2-amino-4-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)-1H-imidazol-5-one (CID 95655295) is (4R)-2-amino-4-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)-1H-imidazol-5-one.
What is the SMILES notation for (4R)-2-amino-4-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)-1H-imidazol-5-one?
The canonical SMILES for (4R)-2-amino-4-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)-1H-imidazol-5-one is COc1ccc(C[C@]2(c3ccc(C)cc3)N=C(N)NC2=O)cc1.
What is the InChIKey of (4R)-2-amino-4-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)-1H-imidazol-5-one?
The InChIKey is IFRNEWHTJLMTNF-GOSISDBHSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-3-7-14(8-4-12)18(16(22)20-17(19)21-18)11-13-5-9-15(23-2)10-6-13/h3-10H,11H2,1-2H3,(H3,19,20,21,22)/t18-/m1/s1.
What are the key properties of (4R)-2-amino-4-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)-1H-imidazol-5-one?
(4R)-2-amino-4-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)-1H-imidazol-5-one has a molecular weight of 309.37 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-4-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)-1H-imidazol-5-one is sourced from PubChem (CID 95655295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).