2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C23H27N5O5 — CID 24565024

IUPAC2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(C2(C)NC(=O)N(NC(=O)CN3CCN(c4ccccc4O)CC3)C2=O)cc1
InChIInChI=1S/C23H27N5O5/c1-23(16-7-9-17(33-2)10-8-16)21(31)28(22(32)24-23)25-20(30)15-26-11-13-27(14-12-26)18-5-3-4-6-19(18)29/h3-10,29H,11-15H2,1-2H3,(H,24,32)(H,25,30)
InChIKeyOITUUJLYOWSODV-UHFFFAOYSA-N
MW453.50 g/mol
LogP1.02
Rot. Bonds6

About 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 24565024) has the molecular formula C23H27N5O5 and a molecular weight of 453.50 g/mol. Its IUPAC name is 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID24565024
Molecular FormulaC23H27N5O5
Molecular Weight453.50 g/mol
Exact Mass453.20
IUPAC Name2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(C2(C)NC(=O)N(NC(=O)CN3CCN(c4ccccc4O)CC3)C2=O)cc1
InChIInChI=1S/C23H27N5O5/c1-23(16-7-9-17(33-2)10-8-16)21(31)28(22(32)24-23)25-20(30)15-26-11-13-27(14-12-26)18-5-3-4-6-19(18)29/h3-10,29H,11-15H2,1-2H3,(H,24,32)(H,25,30)
InChIKeyOITUUJLYOWSODV-UHFFFAOYSA-N
XLogP1.02
TPSA114.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 24565232
2-[4-[2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 24568484
N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide
CID 55511314
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 8529199
2-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55468897
2-[4-[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 55469957
N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyrimidin-2-ylsulfanylacetamide
CID 42927432
N-(4-fluorophenyl)-2-[4-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30730046
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55446242
(4-methoxyphenyl)methyl-methyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium
CID 8793202
2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42885091
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55498703

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 24565024) is 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is COc1ccc(C2(C)NC(=O)N(NC(=O)CN3CCN(c4ccccc4O)CC3)C2=O)cc1.
What is the InChIKey of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is OITUUJLYOWSODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O5/c1-23(16-7-9-17(33-2)10-8-16)21(31)28(22(32)24-23)25-20(30)15-26-11-13-27(14-12-26)18-5-3-4-6-19(18)29/h3-10,29H,11-15H2,1-2H3,(H,24,32)(H,25,30).
What are the key properties of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 453.50 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 24565024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).