3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione

C23H27ClN4O2 — CID 42911323

IUPAC3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
SMILESCCC1(c2ccccc2)NC(=O)N(CN2CCN(Cc3ccc(Cl)cc3)CC2)C1=O
InChIInChI=1S/C23H27ClN4O2/c1-2-23(19-6-4-3-5-7-19)21(29)28(22(30)25-23)17-27-14-12-26(13-15-27)16-18-8-10-20(24)11-9-18/h3-11H,2,12-17H2,1H3,(H,25,30)
InChIKeyQMQCEZCHMWUKFD-UHFFFAOYSA-N
MW426.95 g/mol
LogP3.27
Rot. Bonds6

About 3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione

3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione (PubChem CID 42911323) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is 3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
PubChem CID42911323
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC Name3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
SMILESCCC1(c2ccccc2)NC(=O)N(CN2CCN(Cc3ccc(Cl)cc3)CC2)C1=O
InChIInChI=1S/C23H27ClN4O2/c1-2-23(19-6-4-3-5-7-19)21(29)28(22(30)25-23)17-27-14-12-26(13-15-27)16-18-8-10-20(24)11-9-18/h3-11H,2,12-17H2,1H3,(H,25,30)
InChIKeyQMQCEZCHMWUKFD-UHFFFAOYSA-N
XLogP3.27
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-benzyl-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 51684122
(5R)-3-[(4-chlorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 2585401
(5S)-3-[(3,4-dichlorophenyl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 7242730
(5R)-3-[[4-(azepane-1-carbonyl)piperidin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9320030
1-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 9325816
5-ethyl-5-phenyl-3-(trimethylsilylmethyl)imidazolidine-2,4-dione
CID 56529154
(5R)-5-(4-chlorophenyl)-5-ethyl-3-phenacylimidazolidine-2,4-dione
CID 2680959
N-(4-chlorophenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179775
8-tert-butyl-3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 30958872
(5R)-3-[(3-bromophenyl)methyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione
CID 41136126
5-(4-chlorophenyl)-5-ethyl-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 4881082
3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 46799345

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione (CID 42911323) is 3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione is CCC1(c2ccccc2)NC(=O)N(CN2CCN(Cc3ccc(Cl)cc3)CC2)C1=O.
What is the InChIKey of 3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is QMQCEZCHMWUKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O2/c1-2-23(19-6-4-3-5-7-19)21(29)28(22(30)25-23)17-27-14-12-26(13-15-27)16-18-8-10-20(24)11-9-18/h3-11H,2,12-17H2,1H3,(H,25,30).
What are the key properties of 3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 426.95 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 42911323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).