5-[3-(azepan-1-yl)-3-oxopropyl]-3-[2-(5-chloro-1H-indol-3-yl)ethyl]imidazolidine-2,4-dione

C22H27ClN4O3 — CID 73259625

IUPAC5-[3-(azepan-1-yl)-3-oxopropyl]-3-[2-(5-chloro-1H-indol-3-yl)ethyl]imidazolidine-2,4-dione
SMILESO=C(CCC1NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O)N1CCCCCC1
InChIInChI=1S/C22H27ClN4O3/c23-16-5-6-18-17(13-16)15(14-24-18)9-12-27-21(29)19(25-22(27)30)7-8-20(28)26-10-3-1-2-4-11-26/h5-6,13-14,19,24H,1-4,7-12H2,(H,25,30)
InChIKeyNPRLXDAMIKRDTJ-UHFFFAOYSA-N
MW430.94 g/mol
LogP3.47
Rot. Bonds6

About 5-[3-(azepan-1-yl)-3-oxopropyl]-3-[2-(5-chloro-1H-indol-3-yl)ethyl]imidazolidine-2,4-dione

5-[3-(azepan-1-yl)-3-oxopropyl]-3-[2-(5-chloro-1H-indol-3-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 73259625) has the molecular formula C22H27ClN4O3 and a molecular weight of 430.94 g/mol. Its IUPAC name is 5-[3-(azepan-1-yl)-3-oxopropyl]-3-[2-(5-chloro-1H-indol-3-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-(azepan-1-yl)-3-oxopropyl]-3-[2-(5-chloro-1H-indol-3-yl)ethyl]imidazolidine-2,4-dione
PubChem CID73259625
Molecular FormulaC22H27ClN4O3
Molecular Weight430.94 g/mol
Exact Mass430.18
IUPAC Name5-[3-(azepan-1-yl)-3-oxopropyl]-3-[2-(5-chloro-1H-indol-3-yl)ethyl]imidazolidine-2,4-dione
SMILESO=C(CCC1NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O)N1CCCCCC1
InChIInChI=1S/C22H27ClN4O3/c23-16-5-6-18-17(13-16)15(14-24-18)9-12-27-21(29)19(25-22(27)30)7-8-20(28)26-10-3-1-2-4-11-26/h5-6,13-14,19,24H,1-4,7-12H2,(H,25,30)
InChIKeyNPRLXDAMIKRDTJ-UHFFFAOYSA-N
XLogP3.47
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-[(4R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 51837234
methyl 2-[1-[3-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanoyl]piperidin-4-yl]acetate
CID 75488747
3-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]propanamide
CID 29134314
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanamide
CID 91821318
5-chloro-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82277469
2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide
CID 125434004
1-(3-benzylpiperidin-1-yl)-4-(5-chloro-1H-indol-3-yl)butan-1-one
CID 18330255
3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-prop-2-enylpropanamide
CID 51808572
N-cycloheptyl-2-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91823490
N-[(2R)-butan-2-yl]-3-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 97489172
N-heptyl-3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 98399429
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 124673763

Frequently Asked Questions

What is the IUPAC name of 5-[3-(azepan-1-yl)-3-oxopropyl]-3-[2-(5-chloro-1H-indol-3-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[3-(azepan-1-yl)-3-oxopropyl]-3-[2-(5-chloro-1H-indol-3-yl)ethyl]imidazolidine-2,4-dione (CID 73259625) is 5-[3-(azepan-1-yl)-3-oxopropyl]-3-[2-(5-chloro-1H-indol-3-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-(azepan-1-yl)-3-oxopropyl]-3-[2-(5-chloro-1H-indol-3-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[3-(azepan-1-yl)-3-oxopropyl]-3-[2-(5-chloro-1H-indol-3-yl)ethyl]imidazolidine-2,4-dione is O=C(CCC1NC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1=O)N1CCCCCC1.
What is the InChIKey of 5-[3-(azepan-1-yl)-3-oxopropyl]-3-[2-(5-chloro-1H-indol-3-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is NPRLXDAMIKRDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O3/c23-16-5-6-18-17(13-16)15(14-24-18)9-12-27-21(29)19(25-22(27)30)7-8-20(28)26-10-3-1-2-4-11-26/h5-6,13-14,19,24H,1-4,7-12H2,(H,25,30).
What are the key properties of 5-[3-(azepan-1-yl)-3-oxopropyl]-3-[2-(5-chloro-1H-indol-3-yl)ethyl]imidazolidine-2,4-dione?
5-[3-(azepan-1-yl)-3-oxopropyl]-3-[2-(5-chloro-1H-indol-3-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 430.94 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(azepan-1-yl)-3-oxopropyl]-3-[2-(5-chloro-1H-indol-3-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 73259625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).