3-[6-[4-(2-propylsulfanylphenyl)piperazin-1-yl]hexyl]imidazolidine-2,4-dione

C22H34N4O2S — CID 97356524

IUPAC3-[6-[4-(2-propylsulfanylphenyl)piperazin-1-yl]hexyl]imidazolidine-2,4-dione
SMILESCCCSc1ccccc1N1CCN(CCCCCCN2C(=O)CNC2=O)CC1
InChIInChI=1S/C22H34N4O2S/c1-2-17-29-20-10-6-5-9-19(20)25-15-13-24(14-16-25)11-7-3-4-8-12-26-21(27)18-23-22(26)28/h5-6,9-10H,2-4,7-8,11-18H2,1H3,(H,23,28)
InChIKeyNOCKVQWMLCWVBV-UHFFFAOYSA-N
MW418.61 g/mol
LogP3.42
Rot. Bonds11

About 3-[6-[4-(2-propylsulfanylphenyl)piperazin-1-yl]hexyl]imidazolidine-2,4-dione

3-[6-[4-(2-propylsulfanylphenyl)piperazin-1-yl]hexyl]imidazolidine-2,4-dione (PubChem CID 97356524) has the molecular formula C22H34N4O2S and a molecular weight of 418.61 g/mol. Its IUPAC name is 3-[6-[4-(2-propylsulfanylphenyl)piperazin-1-yl]hexyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[6-[4-(2-propylsulfanylphenyl)piperazin-1-yl]hexyl]imidazolidine-2,4-dione
PubChem CID97356524
Molecular FormulaC22H34N4O2S
Molecular Weight418.61 g/mol
Exact Mass418.24
IUPAC Name3-[6-[4-(2-propylsulfanylphenyl)piperazin-1-yl]hexyl]imidazolidine-2,4-dione
SMILESCCCSc1ccccc1N1CCN(CCCCCCN2C(=O)CNC2=O)CC1
InChIInChI=1S/C22H34N4O2S/c1-2-17-29-20-10-6-5-9-19(20)25-15-13-24(14-16-25)11-7-3-4-8-12-26-21(27)18-23-22(26)28/h5-6,9-10H,2-4,7-8,11-18H2,1H3,(H,23,28)
InChIKeyNOCKVQWMLCWVBV-UHFFFAOYSA-N
XLogP3.42
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.61
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(2-propylsulfanylphenyl)piperazin-1-yl]butyl N-ethylcarbamate
CID 97355621
3-[4-(2-propylsulfanylphenyl)piperazin-1-yl]propyl N-ethylcarbamate
CID 97355608
6-methyl-3-[4-[4-(2-propylsulfanylphenyl)piperazin-1-yl]butyl]-1H-quinazoline-2,4-dione;hydrochloride
CID 67922879
propyl N-[3-[4-(2-propylsulfanylphenyl)piperazin-1-yl]propyl]carbamate;hydrochloride
CID 117067112
3-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione
CID 13320378
6-[4-(2-ethylsulfanylphenyl)piperazin-1-yl]hexan-1-ol
CID 97355562
1-[3-[4-(2-ethylsulfanylphenyl)piperazin-1-yl]propyl]-3-naphthalen-1-ylpyrrolidine-2,5-dione;hydrochloride
CID 117068397
2-[4-[4-[(2-oxo-1H-quinolin-7-yl)oxy]butyl]piperazin-1-yl]-6-propylsulfanylbenzaldehyde
CID 126748195
(3aS,7aR)-2-[4-[4-[2-(methylideneamino)sulfanylphenyl]piperazin-1-yl]butyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 89360925
1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-5H-4,1-benzoxazepin-2-one
CID 169212751
3-[2-(4-propan-2-ylphenyl)sulfanylethyl]imidazolidine-2,4-dione
CID 39045021
2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione;hydrobromide
CID 24839637

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-(2-propylsulfanylphenyl)piperazin-1-yl]hexyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[6-[4-(2-propylsulfanylphenyl)piperazin-1-yl]hexyl]imidazolidine-2,4-dione (CID 97356524) is 3-[6-[4-(2-propylsulfanylphenyl)piperazin-1-yl]hexyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[6-[4-(2-propylsulfanylphenyl)piperazin-1-yl]hexyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[6-[4-(2-propylsulfanylphenyl)piperazin-1-yl]hexyl]imidazolidine-2,4-dione is CCCSc1ccccc1N1CCN(CCCCCCN2C(=O)CNC2=O)CC1.
What is the InChIKey of 3-[6-[4-(2-propylsulfanylphenyl)piperazin-1-yl]hexyl]imidazolidine-2,4-dione?
The InChIKey is NOCKVQWMLCWVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2S/c1-2-17-29-20-10-6-5-9-19(20)25-15-13-24(14-16-25)11-7-3-4-8-12-26-21(27)18-23-22(26)28/h5-6,9-10H,2-4,7-8,11-18H2,1H3,(H,23,28).
What are the key properties of 3-[6-[4-(2-propylsulfanylphenyl)piperazin-1-yl]hexyl]imidazolidine-2,4-dione?
3-[6-[4-(2-propylsulfanylphenyl)piperazin-1-yl]hexyl]imidazolidine-2,4-dione has a molecular weight of 418.61 g/mol, XLogP of 3.42, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-(2-propylsulfanylphenyl)piperazin-1-yl]hexyl]imidazolidine-2,4-dione is sourced from PubChem (CID 97356524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).