5-amino-4-(3-methoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one

C13H17N3O2 — CID 79967392

IUPAC5-amino-4-(3-methoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one
SMILESCOc1cccc(C2C(N)=NC(=O)N2C(C)C)c1
InChIInChI=1S/C13H17N3O2/c1-8(2)16-11(12(14)15-13(16)17)9-5-4-6-10(7-9)18-3/h4-8,11H,1-3H3,(H2,14,15,17)
InChIKeyFDXXYDRMCRHBOE-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.94
Rot. Bonds3

About 5-amino-4-(3-methoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one

5-amino-4-(3-methoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one (PubChem CID 79967392) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-amino-4-(3-methoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(3-methoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one
PubChem CID79967392
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name5-amino-4-(3-methoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one
SMILESCOc1cccc(C2C(N)=NC(=O)N2C(C)C)c1
InChIInChI=1S/C13H17N3O2/c1-8(2)16-11(12(14)15-13(16)17)9-5-4-6-10(7-9)18-3/h4-8,11H,1-3H3,(H2,14,15,17)
InChIKeyFDXXYDRMCRHBOE-UHFFFAOYSA-N
XLogP1.94
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-3-propan-2-yl-4-(3-propan-2-yloxyphenyl)-4H-imidazol-2-one
CID 79967024
5-amino-4-(2,5-dimethoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one
CID 79967027
5-amino-3-propan-2-yl-4-(4-propan-2-yloxyphenyl)-4H-imidazol-2-one
CID 79967942
(4R,5S)-4-amino-5-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one
CID 178192247
(2R)-2-(3-methoxyphenyl)cyclobutan-1-one
CID 129415891
5-amino-3-but-3-yn-2-yl-4-(2-chloro-6-methoxyphenyl)-4H-imidazol-2-one
CID 114420821
(2R,4R,6R,8S)-2,4,6,8-tetrakis(3-methoxyphenyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 98153067
5-amino-4-[3-(methoxymethyl)phenyl]-3-methyl-4H-imidazol-2-one
CID 79961251
5-amino-3-cyclopropyl-4-(3,5-dimethoxyphenyl)-4H-imidazol-2-one
CID 79961404
3-(3-methoxyphenyl)-1-propan-2-ylazetidine
CID 166469184
5-amino-3-(cyclopropylmethyl)-4-(3-propoxyphenyl)-4H-imidazol-2-one
CID 79967643
2-(3-methoxyphenyl)-5-methyl-3-(2-methylpropyl)imidazolidin-4-one
CID 83242312

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-methoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(3-methoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one (CID 79967392) is 5-amino-4-(3-methoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(3-methoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(3-methoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one is COc1cccc(C2C(N)=NC(=O)N2C(C)C)c1.
What is the InChIKey of 5-amino-4-(3-methoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one?
The InChIKey is FDXXYDRMCRHBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8(2)16-11(12(14)15-13(16)17)9-5-4-6-10(7-9)18-3/h4-8,11H,1-3H3,(H2,14,15,17).
What are the key properties of 5-amino-4-(3-methoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one?
5-amino-4-(3-methoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one has a molecular weight of 247.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-methoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one is sourced from PubChem (CID 79967392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).