1-(4-ethoxyphenyl)-3-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one

C22H27N5O4 — CID 90638848

IUPAC1-(4-ethoxyphenyl)-3-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one
SMILESCCOc1ccc(N2CCN(CC(=O)N3CCC(Oc4ccc(C)nn4)C3)C2=O)cc1
InChIInChI=1S/C22H27N5O4/c1-3-30-18-7-5-17(6-8-18)27-13-12-26(22(27)29)15-21(28)25-11-10-19(14-25)31-20-9-4-16(2)23-24-20/h4-9,19H,3,10-15H2,1-2H3
InChIKeyWJPLEPREZOPWEM-UHFFFAOYSA-N
MW425.49 g/mol
LogP2.11
Rot. Bonds7

About 1-(4-ethoxyphenyl)-3-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one

1-(4-ethoxyphenyl)-3-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one (PubChem CID 90638848) has the molecular formula C22H27N5O4 and a molecular weight of 425.49 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one
PubChem CID90638848
Molecular FormulaC22H27N5O4
Molecular Weight425.49 g/mol
Exact Mass425.21
IUPAC Name1-(4-ethoxyphenyl)-3-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one
SMILESCCOc1ccc(N2CCN(CC(=O)N3CCC(Oc4ccc(C)nn4)C3)C2=O)cc1
InChIInChI=1S/C22H27N5O4/c1-3-30-18-7-5-17(6-8-18)27-13-12-26(22(27)29)15-21(28)25-11-10-19(14-25)31-20-9-4-16(2)23-24-20/h4-9,19H,3,10-15H2,1-2H3
InChIKeyWJPLEPREZOPWEM-UHFFFAOYSA-N
XLogP2.11
TPSA88.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-ethoxyphenyl)-3-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-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

1-[2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-ethoxyphenyl)imidazolidin-2-one
CID 121161021
1-(2-fluorophenyl)-3-[2-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one
CID 100629286
N-(4-ethoxyphenyl)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90638864
2-ethoxy-1-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]ethanone
CID 91627331
1-(4-methylphenyl)-3-[2-oxo-2-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethyl]imidazolidin-2-one
CID 100738571
1-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 100627527
1-(4-fluorophenyl)-3-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one
CID 121162711
1-(4-ethoxyphenyl)-3-[2-oxo-2-(7-thiophen-2-yl-1,4-thiazepan-4-yl)ethyl]imidazolidin-2-one
CID 90632956
1-[2-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)imidazolidin-2-one
CID 122259062
3-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridazine
CID 90638929
N-(4-ethoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90639320
1-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]pent-4-en-1-one
CID 90638608

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one (CID 90638848) is 1-(4-ethoxyphenyl)-3-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one is CCOc1ccc(N2CCN(CC(=O)N3CCC(Oc4ccc(C)nn4)C3)C2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one?
The InChIKey is WJPLEPREZOPWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4/c1-3-30-18-7-5-17(6-8-18)27-13-12-26(22(27)29)15-21(28)25-11-10-19(14-25)31-20-9-4-16(2)23-24-20/h4-9,19H,3,10-15H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-3-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one?
1-(4-ethoxyphenyl)-3-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one has a molecular weight of 425.49 g/mol, XLogP of 2.11, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[2-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one is sourced from PubChem (CID 90638848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).