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

C13H17N3O — CID 79967121

IUPAC5-amino-4-(3-methylphenyl)-3-propan-2-yl-4H-imidazol-2-one
SMILESCc1cccc(C2C(N)=NC(=O)N2C(C)C)c1
InChIInChI=1S/C13H17N3O/c1-8(2)16-11(12(14)15-13(16)17)10-6-4-5-9(3)7-10/h4-8,11H,1-3H3,(H2,14,15,17)
InChIKeyXYQKWJARWGAEKO-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.24
Rot. Bonds2

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

5-amino-4-(3-methylphenyl)-3-propan-2-yl-4H-imidazol-2-one (PubChem CID 79967121) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-amino-4-(3-methylphenyl)-3-propan-2-yl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(3-methylphenyl)-3-propan-2-yl-4H-imidazol-2-one
PubChem CID79967121
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name5-amino-4-(3-methylphenyl)-3-propan-2-yl-4H-imidazol-2-one
SMILESCc1cccc(C2C(N)=NC(=O)N2C(C)C)c1
InChIInChI=1S/C13H17N3O/c1-8(2)16-11(12(14)15-13(16)17)10-6-4-5-9(3)7-10/h4-8,11H,1-3H3,(H2,14,15,17)
InChIKeyXYQKWJARWGAEKO-UHFFFAOYSA-N
XLogP2.24
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-4-(3-methoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one
CID 79967392
5-amino-3-propan-2-yl-4-(3-propan-2-yloxyphenyl)-4H-imidazol-2-one
CID 79967024
5-amino-3-cyclopropyl-4-(3-methylphenyl)-4H-imidazol-2-one
CID 79961022
5-amino-4-(4-fluorophenyl)-3-propan-2-yl-4H-imidazol-2-one
CID 79967494
5-amino-3-propan-2-yl-4-(4-propan-2-yloxyphenyl)-4H-imidazol-2-one
CID 79967942
5-amino-3-but-3-yn-2-yl-4-(3-chlorophenyl)-4H-imidazol-2-one
CID 114420954
5-amino-4-(2,5-dimethoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one
CID 79967027
5-amino-3-but-3-yn-2-yl-4-(2,5-dimethylphenyl)-4H-imidazol-2-one
CID 114420726
5-amino-4-(5-ethylthiophen-2-yl)-3-propan-2-yl-4H-imidazol-2-one
CID 79968353
5-amino-4-(3-methylimidazol-4-yl)-3-propan-2-yl-4H-imidazol-2-one
CID 79967025
5-amino-4-(3-chloro-4-methylphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one
CID 106819343
3-(5-amino-2-oxo-3-propyl-4H-imidazol-4-yl)benzonitrile
CID 79961947

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-methylphenyl)-3-propan-2-yl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(3-methylphenyl)-3-propan-2-yl-4H-imidazol-2-one (CID 79967121) is 5-amino-4-(3-methylphenyl)-3-propan-2-yl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(3-methylphenyl)-3-propan-2-yl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(3-methylphenyl)-3-propan-2-yl-4H-imidazol-2-one is Cc1cccc(C2C(N)=NC(=O)N2C(C)C)c1.
What is the InChIKey of 5-amino-4-(3-methylphenyl)-3-propan-2-yl-4H-imidazol-2-one?
The InChIKey is XYQKWJARWGAEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8(2)16-11(12(14)15-13(16)17)10-6-4-5-9(3)7-10/h4-8,11H,1-3H3,(H2,14,15,17).
What are the key properties of 5-amino-4-(3-methylphenyl)-3-propan-2-yl-4H-imidazol-2-one?
5-amino-4-(3-methylphenyl)-3-propan-2-yl-4H-imidazol-2-one has a molecular weight of 231.30 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-methylphenyl)-3-propan-2-yl-4H-imidazol-2-one is sourced from PubChem (CID 79967121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).