5-amino-4-(4-ethylphenyl)-3-prop-2-ynyl-4H-imidazol-2-one

C14H15N3O — CID 79967439

IUPAC5-amino-4-(4-ethylphenyl)-3-prop-2-ynyl-4H-imidazol-2-one
SMILESC#CCN1C(=O)N=C(N)C1c1ccc(CC)cc1
InChIInChI=1S/C14H15N3O/c1-3-9-17-12(13(15)16-14(17)18)11-7-5-10(4-2)6-8-11/h1,5-8,12H,4,9H2,2H3,(H2,15,16,18)
InChIKeySSGOZOHIQWKHHT-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.72
Rot. Bonds3

About 5-amino-4-(4-ethylphenyl)-3-prop-2-ynyl-4H-imidazol-2-one

5-amino-4-(4-ethylphenyl)-3-prop-2-ynyl-4H-imidazol-2-one (PubChem CID 79967439) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-amino-4-(4-ethylphenyl)-3-prop-2-ynyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(4-ethylphenyl)-3-prop-2-ynyl-4H-imidazol-2-one
PubChem CID79967439
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name5-amino-4-(4-ethylphenyl)-3-prop-2-ynyl-4H-imidazol-2-one
SMILESC#CCN1C(=O)N=C(N)C1c1ccc(CC)cc1
InChIInChI=1S/C14H15N3O/c1-3-9-17-12(13(15)16-14(17)18)11-7-5-10(4-2)6-8-11/h1,5-8,12H,4,9H2,2H3,(H2,15,16,18)
InChIKeySSGOZOHIQWKHHT-UHFFFAOYSA-N
XLogP1.72
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-amino-4-(4-ethoxyphenyl)-3-prop-2-ynyl-4H-imidazol-2-one
CID 79967529
5-amino-4-[4-(difluoromethyl)phenyl]-3-prop-2-ynyl-4H-imidazol-2-one
CID 115525853
5-amino-4-(1-propylpyrazol-4-yl)-3-prop-2-ynyl-4H-imidazol-2-one
CID 103573677
5-amino-3-ethyl-4-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-one
CID 79967736
2-(5-amino-2-oxo-3-prop-2-ynyl-4H-imidazol-4-yl)benzonitrile
CID 114018084
5-amino-3-benzyl-4-[4-(2-methylpropyl)phenyl]-4H-imidazol-2-one
CID 113254024
5-amino-4-[4-(difluoromethyl)phenyl]-3-ethyl-4H-imidazol-2-one
CID 113328663
5-amino-4-(2-bromo-4,5-dimethoxyphenyl)-3-prop-2-ynyl-4H-imidazol-2-one
CID 79972184
5-amino-4-[2-(difluoromethoxy)phenyl]-3-prop-2-ynyl-4H-imidazol-2-one
CID 79968099
5-amino-4-(2-methylpropyl)-3-prop-2-ynyl-4H-imidazol-2-one
CID 79967249
5-amino-4-hexyl-3-prop-2-ynyl-4H-imidazol-2-one
CID 79968090
5-amino-4-(6-methyl-3-pyridinyl)-3-propyl-4H-imidazol-2-one
CID 104824163

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-ethylphenyl)-3-prop-2-ynyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(4-ethylphenyl)-3-prop-2-ynyl-4H-imidazol-2-one (CID 79967439) is 5-amino-4-(4-ethylphenyl)-3-prop-2-ynyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(4-ethylphenyl)-3-prop-2-ynyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(4-ethylphenyl)-3-prop-2-ynyl-4H-imidazol-2-one is C#CCN1C(=O)N=C(N)C1c1ccc(CC)cc1.
What is the InChIKey of 5-amino-4-(4-ethylphenyl)-3-prop-2-ynyl-4H-imidazol-2-one?
The InChIKey is SSGOZOHIQWKHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-3-9-17-12(13(15)16-14(17)18)11-7-5-10(4-2)6-8-11/h1,5-8,12H,4,9H2,2H3,(H2,15,16,18).
What are the key properties of 5-amino-4-(4-ethylphenyl)-3-prop-2-ynyl-4H-imidazol-2-one?
5-amino-4-(4-ethylphenyl)-3-prop-2-ynyl-4H-imidazol-2-one has a molecular weight of 241.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-ethylphenyl)-3-prop-2-ynyl-4H-imidazol-2-one is sourced from PubChem (CID 79967439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).