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

C15H21N3O2 — CID 79967942

IUPAC5-amino-3-propan-2-yl-4-(4-propan-2-yloxyphenyl)-4H-imidazol-2-one
SMILESCC(C)Oc1ccc(C2C(N)=NC(=O)N2C(C)C)cc1
InChIInChI=1S/C15H21N3O2/c1-9(2)18-13(14(16)17-15(18)19)11-5-7-12(8-6-11)20-10(3)4/h5-10,13H,1-4H3,(H2,16,17,19)
InChIKeyHXATURQIKFXDRS-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.72
Rot. Bonds4

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

5-amino-3-propan-2-yl-4-(4-propan-2-yloxyphenyl)-4H-imidazol-2-one (PubChem CID 79967942) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-amino-3-propan-2-yl-4-(4-propan-2-yloxyphenyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-propan-2-yl-4-(4-propan-2-yloxyphenyl)-4H-imidazol-2-one
PubChem CID79967942
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name5-amino-3-propan-2-yl-4-(4-propan-2-yloxyphenyl)-4H-imidazol-2-one
SMILESCC(C)Oc1ccc(C2C(N)=NC(=O)N2C(C)C)cc1
InChIInChI=1S/C15H21N3O2/c1-9(2)18-13(14(16)17-15(18)19)11-5-7-12(8-6-11)20-10(3)4/h5-10,13H,1-4H3,(H2,16,17,19)
InChIKeyHXATURQIKFXDRS-UHFFFAOYSA-N
XLogP2.72
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.72
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-(3-methoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one
CID 79967392
5-amino-4-(3-methylphenyl)-3-propan-2-yl-4H-imidazol-2-one
CID 79967121
5-amino-4-(5-ethylthiophen-2-yl)-3-propan-2-yl-4H-imidazol-2-one
CID 79968353
5-amino-3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-4H-imidazol-2-one
CID 79961761
5-amino-3-cyclopropyl-4-(4-methoxyphenyl)-4H-imidazol-2-one
CID 79960655
2-(4-propan-2-yloxyphenyl)indene-1,3-dione
CID 159652918
5-amino-4-(4-fluorophenyl)-3-methyl-4H-imidazol-2-one
CID 79960327
5-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 15817594
2,2-diethyl-3-(4-propan-2-yloxyphenyl)cyclobutan-1-one
CID 81415345
5-amino-4-(3-chloro-4-methylphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one
CID 106819343
5-amino-4-cycloheptyl-3-propan-2-yl-4H-imidazol-2-one
CID 79968357

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-propan-2-yl-4-(4-propan-2-yloxyphenyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-propan-2-yl-4-(4-propan-2-yloxyphenyl)-4H-imidazol-2-one (CID 79967942) is 5-amino-3-propan-2-yl-4-(4-propan-2-yloxyphenyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-propan-2-yl-4-(4-propan-2-yloxyphenyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-propan-2-yl-4-(4-propan-2-yloxyphenyl)-4H-imidazol-2-one is CC(C)Oc1ccc(C2C(N)=NC(=O)N2C(C)C)cc1.
What is the InChIKey of 5-amino-3-propan-2-yl-4-(4-propan-2-yloxyphenyl)-4H-imidazol-2-one?
The InChIKey is HXATURQIKFXDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-9(2)18-13(14(16)17-15(18)19)11-5-7-12(8-6-11)20-10(3)4/h5-10,13H,1-4H3,(H2,16,17,19).
What are the key properties of 5-amino-3-propan-2-yl-4-(4-propan-2-yloxyphenyl)-4H-imidazol-2-one?
5-amino-3-propan-2-yl-4-(4-propan-2-yloxyphenyl)-4H-imidazol-2-one has a molecular weight of 275.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-propan-2-yl-4-(4-propan-2-yloxyphenyl)-4H-imidazol-2-one is sourced from PubChem (CID 79967942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).