5-amino-4-(2,4-dimethoxyphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one

C15H21N3O3 — CID 79959429

IUPAC5-amino-4-(2,4-dimethoxyphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one
SMILESCOc1ccc(C2C(N)=NC(=O)N2CC(C)C)c(OC)c1
InChIInChI=1S/C15H21N3O3/c1-9(2)8-18-13(14(16)17-15(18)19)11-6-5-10(20-3)7-12(11)21-4/h5-7,9,13H,8H2,1-4H3,(H2,16,17,19)
InChIKeyWLOJIXQLLSXFKS-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.19
Rot. Bonds5

About 5-amino-4-(2,4-dimethoxyphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one

5-amino-4-(2,4-dimethoxyphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one (PubChem CID 79959429) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-amino-4-(2,4-dimethoxyphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(2,4-dimethoxyphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one
PubChem CID79959429
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name5-amino-4-(2,4-dimethoxyphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one
SMILESCOc1ccc(C2C(N)=NC(=O)N2CC(C)C)c(OC)c1
InChIInChI=1S/C15H21N3O3/c1-9(2)8-18-13(14(16)17-15(18)19)11-6-5-10(20-3)7-12(11)21-4/h5-7,9,13H,8H2,1-4H3,(H2,16,17,19)
InChIKeyWLOJIXQLLSXFKS-UHFFFAOYSA-N
XLogP2.19
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-3-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-4H-imidazol-2-one
CID 79971673
5-amino-3-cyclopropyl-4-(2,4-dimethoxyphenyl)-4H-imidazol-2-one
CID 79961193
5-amino-4-(2,5-dimethoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one
CID 79967027
5-amino-4-(2-bromo-4-methoxyphenyl)-3-ethyl-4H-imidazol-2-one
CID 112749216
5-amino-4-(5-bromo-2-fluorophenyl)-3-(2-methylpropyl)-4H-imidazol-2-one
CID 79961972
5-amino-3-ethyl-4-(2-methoxyphenyl)-4H-imidazol-2-one
CID 79967269
5-amino-4-(3-methoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one
CID 79967392
5-amino-3-but-3-yn-2-yl-4-(2,5-dimethoxyphenyl)-4H-imidazol-2-one
CID 114420980
5-amino-3-(2-methylpropyl)-4-(5-methylthiophen-2-yl)-4H-imidazol-2-one
CID 79960510
(4Z)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(2,4-dimethoxyphenyl)-1-(2-methylpropyl)pyrrolidine-2,3-dione
CID 5322378
5-amino-4-(3-chloro-4-methylphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one
CID 106819343
methyl 5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazole-4-carboxylate
CID 79960504

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2,4-dimethoxyphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(2,4-dimethoxyphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one (CID 79959429) is 5-amino-4-(2,4-dimethoxyphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(2,4-dimethoxyphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(2,4-dimethoxyphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one is COc1ccc(C2C(N)=NC(=O)N2CC(C)C)c(OC)c1.
What is the InChIKey of 5-amino-4-(2,4-dimethoxyphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one?
The InChIKey is WLOJIXQLLSXFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-9(2)8-18-13(14(16)17-15(18)19)11-6-5-10(20-3)7-12(11)21-4/h5-7,9,13H,8H2,1-4H3,(H2,16,17,19).
What are the key properties of 5-amino-4-(2,4-dimethoxyphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one?
5-amino-4-(2,4-dimethoxyphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one has a molecular weight of 291.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2,4-dimethoxyphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one is sourced from PubChem (CID 79959429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).