4-(4-ethoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one

C21H20N4O2 — CID 10247955

IUPAC4-(4-ethoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one
SMILESCCOc1ccc(-c2nn(CCn3ccnc3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C21H20N4O2/c1-2-27-17-9-7-16(8-10-17)20-18-5-3-4-6-19(18)21(26)25(23-20)14-13-24-12-11-22-15-24/h3-12,15H,2,13-14H2,1H3
InChIKeyKUIFTXPDLTUUCL-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.36
Rot. Bonds6

About 4-(4-ethoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one

4-(4-ethoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one (PubChem CID 10247955) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one
PubChem CID10247955
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name4-(4-ethoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one
SMILESCCOc1ccc(-c2nn(CCn3ccnc3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C21H20N4O2/c1-2-27-17-9-7-16(8-10-17)20-18-5-3-4-6-19(18)21(26)25(23-20)14-13-24-12-11-22-15-24/h3-12,15H,2,13-14H2,1H3
InChIKeyKUIFTXPDLTUUCL-UHFFFAOYSA-N
XLogP3.36
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(4-ethoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one?
The IUPAC name of 4-(4-ethoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one (CID 10247955) is 4-(4-ethoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one.
What is the SMILES notation for 4-(4-ethoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one?
The canonical SMILES for 4-(4-ethoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one is CCOc1ccc(-c2nn(CCn3ccnc3)c(=O)c3ccccc23)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one?
The InChIKey is KUIFTXPDLTUUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-2-27-17-9-7-16(8-10-17)20-18-5-3-4-6-19(18)21(26)25(23-20)14-13-24-12-11-22-15-24/h3-12,15H,2,13-14H2,1H3.
What are the key properties of 4-(4-ethoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one?
4-(4-ethoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one has a molecular weight of 360.42 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-2-(2-imidazol-1-ylethyl)phthalazin-1-one is sourced from PubChem (CID 10247955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).