(5R)-3-[(4-methoxyphenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione

C24H29N5O4 — CID 124860685

IUPAC(5R)-3-[(4-methoxyphenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCOc1ccc(CN2C(=O)N[C@H](CC(=O)N3CCN(CCc4ccccn4)CC3)C2=O)cc1
InChIInChI=1S/C24H29N5O4/c1-33-20-7-5-18(6-8-20)17-29-23(31)21(26-24(29)32)16-22(30)28-14-12-27(13-15-28)11-9-19-4-2-3-10-25-19/h2-8,10,21H,9,11-17H2,1H3,(H,26,32)/t21-/m1/s1
InChIKeyDFQDFOFWIIRVHI-OAQYLSRUSA-N
MW451.53 g/mol
LogP1.29
Rot. Bonds8

About (5R)-3-[(4-methoxyphenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione

(5R)-3-[(4-methoxyphenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 124860685) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is (5R)-3-[(4-methoxyphenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(4-methoxyphenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione
PubChem CID124860685
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC Name(5R)-3-[(4-methoxyphenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCOc1ccc(CN2C(=O)N[C@H](CC(=O)N3CCN(CCc4ccccn4)CC3)C2=O)cc1
InChIInChI=1S/C24H29N5O4/c1-33-20-7-5-18(6-8-20)17-29-23(31)21(26-24(29)32)16-22(30)28-14-12-27(13-15-28)11-9-19-4-2-3-10-25-19/h2-8,10,21H,9,11-17H2,1H3,(H,26,32)/t21-/m1/s1
InChIKeyDFQDFOFWIIRVHI-OAQYLSRUSA-N
XLogP1.29
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-benzyl-5-[3-oxo-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
CID 91822559
(5R)-3-[(3-fluorophenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 124862563
(5S)-3-[2-(4-methoxyphenyl)ethyl]-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
CID 75489932
2-(4-methoxyphenyl)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride
CID 52984539
(5S)-3-[2-(4-methoxyphenyl)ethyl]-5-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 75491171
(5R)-3-benzyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
CID 124861250
(5S)-3-[(4-methoxyphenyl)methyl]-5-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]imidazolidine-2,4-dione
CID 91640441
ethyl 4-[2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)acetyl]piperazine-1-carboxylate
CID 91821962
2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone
CID 71708267
2-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-pyridin-2-ylacetamide
CID 99871448
N-(1-benzylpiperidin-4-yl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75490538
1-[(6R)-4-benzyl-6-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 95813828

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(4-methoxyphenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(4-methoxyphenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione (CID 124860685) is (5R)-3-[(4-methoxyphenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(4-methoxyphenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(4-methoxyphenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione is COc1ccc(CN2C(=O)N[C@H](CC(=O)N3CCN(CCc4ccccn4)CC3)C2=O)cc1.
What is the InChIKey of (5R)-3-[(4-methoxyphenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is DFQDFOFWIIRVHI-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H29N5O4/c1-33-20-7-5-18(6-8-20)17-29-23(31)21(26-24(29)32)16-22(30)28-14-12-27(13-15-28)11-9-19-4-2-3-10-25-19/h2-8,10,21H,9,11-17H2,1H3,(H,26,32)/t21-/m1/s1.
What are the key properties of (5R)-3-[(4-methoxyphenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione?
(5R)-3-[(4-methoxyphenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 451.53 g/mol, XLogP of 1.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(4-methoxyphenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 124860685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).