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

C14H15N3O2 — CID 79967529

IUPAC5-amino-4-(4-ethoxyphenyl)-3-prop-2-ynyl-4H-imidazol-2-one
SMILESC#CCN1C(=O)N=C(N)C1c1ccc(OCC)cc1
InChIInChI=1S/C14H15N3O2/c1-3-9-17-12(13(15)16-14(17)18)10-5-7-11(8-6-10)19-4-2/h1,5-8,12H,4,9H2,2H3,(H2,15,16,18)
InChIKeyAQVYWXHYBRQJKP-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.55
Rot. Bonds4

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

5-amino-4-(4-ethoxyphenyl)-3-prop-2-ynyl-4H-imidazol-2-one (PubChem CID 79967529) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-amino-4-(4-ethoxyphenyl)-3-prop-2-ynyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(4-ethoxyphenyl)-3-prop-2-ynyl-4H-imidazol-2-one
PubChem CID79967529
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name5-amino-4-(4-ethoxyphenyl)-3-prop-2-ynyl-4H-imidazol-2-one
SMILESC#CCN1C(=O)N=C(N)C1c1ccc(OCC)cc1
InChIInChI=1S/C14H15N3O2/c1-3-9-17-12(13(15)16-14(17)18)10-5-7-11(8-6-10)19-4-2/h1,5-8,12H,4,9H2,2H3,(H2,15,16,18)
InChIKeyAQVYWXHYBRQJKP-UHFFFAOYSA-N
XLogP1.55
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-4-(4-ethoxyphenyl)-3-prop-2-ynyl-4H-imidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-4-(4-ethoxyphenyl)-3-methyl-4H-imidazol-2-one
CID 79959516
5-amino-4-(2-bromo-4,5-dimethoxyphenyl)-3-prop-2-ynyl-4H-imidazol-2-one
CID 79972184
2-(5-amino-2-oxo-3-prop-2-ynyl-4H-imidazol-4-yl)benzonitrile
CID 114018084
5-amino-4-[2-(difluoromethoxy)phenyl]-3-prop-2-ynyl-4H-imidazol-2-one
CID 79968099
5-amino-4-[4-(difluoromethyl)phenyl]-3-ethyl-4H-imidazol-2-one
CID 113328663
5-amino-3-ethyl-4-(6-methoxy-3-pyridinyl)-4H-imidazol-2-one
CID 114939050
5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-(2-methoxyethyl)-4H-imidazol-2-one
CID 79973133
5-amino-3-(cyclopropylmethyl)-4-(3-propoxyphenyl)-4H-imidazol-2-one
CID 79967643
5-amino-4-naphthalen-2-yl-3-propyl-4H-imidazol-2-one
CID 79961605
5-amino-4-hexyl-3-prop-2-ynyl-4H-imidazol-2-one
CID 79968090
(2R,4R,6S,8S)-2,4,6,8-tetrakis(4-ethoxyphenyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 40629509
5-amino-3-benzyl-4-[4-(2-methylpropyl)phenyl]-4H-imidazol-2-one
CID 113254024

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-ethoxyphenyl)-3-prop-2-ynyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(4-ethoxyphenyl)-3-prop-2-ynyl-4H-imidazol-2-one (CID 79967529) is 5-amino-4-(4-ethoxyphenyl)-3-prop-2-ynyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(4-ethoxyphenyl)-3-prop-2-ynyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(4-ethoxyphenyl)-3-prop-2-ynyl-4H-imidazol-2-one is C#CCN1C(=O)N=C(N)C1c1ccc(OCC)cc1.
What is the InChIKey of 5-amino-4-(4-ethoxyphenyl)-3-prop-2-ynyl-4H-imidazol-2-one?
The InChIKey is AQVYWXHYBRQJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-3-9-17-12(13(15)16-14(17)18)10-5-7-11(8-6-10)19-4-2/h1,5-8,12H,4,9H2,2H3,(H2,15,16,18).
What are the key properties of 5-amino-4-(4-ethoxyphenyl)-3-prop-2-ynyl-4H-imidazol-2-one?
5-amino-4-(4-ethoxyphenyl)-3-prop-2-ynyl-4H-imidazol-2-one has a molecular weight of 257.29 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-ethoxyphenyl)-3-prop-2-ynyl-4H-imidazol-2-one is sourced from PubChem (CID 79967529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).