3'-(3-bromopropyl)-6-chloro-2,2-diethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione

C18H22BrClN2O3 — CID 10025680

IUPAC3'-(3-bromopropyl)-6-chloro-2,2-diethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione
SMILESCCC1(CC)CC2(NC(=O)N(CCCBr)C2=O)c2cc(Cl)ccc2O1
InChIInChI=1S/C18H22BrClN2O3/c1-3-17(4-2)11-18(13-10-12(20)6-7-14(13)25-17)15(23)22(9-5-8-19)16(24)21-18/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,21,24)
InChIKeyOHAUSUBIXYHBFZ-UHFFFAOYSA-N
MW429.74 g/mol
LogP4.21
Rot. Bonds5

About 3'-(3-bromopropyl)-6-chloro-2,2-diethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione

3'-(3-bromopropyl)-6-chloro-2,2-diethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 10025680) has the molecular formula C18H22BrClN2O3 and a molecular weight of 429.74 g/mol. Its IUPAC name is 3'-(3-bromopropyl)-6-chloro-2,2-diethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-(3-bromopropyl)-6-chloro-2,2-diethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID10025680
Molecular FormulaC18H22BrClN2O3
Molecular Weight429.74 g/mol
Exact Mass428.05
IUPAC Name3'-(3-bromopropyl)-6-chloro-2,2-diethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione
SMILESCCC1(CC)CC2(NC(=O)N(CCCBr)C2=O)c2cc(Cl)ccc2O1
InChIInChI=1S/C18H22BrClN2O3/c1-3-17(4-2)11-18(13-10-12(20)6-7-14(13)25-17)15(23)22(9-5-8-19)16(24)21-18/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,21,24)
InChIKeyOHAUSUBIXYHBFZ-UHFFFAOYSA-N
XLogP4.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.74
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-diethyl-6-fluorospiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione
CID 13036729
6-chloro-3'-[3-(6-chloro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 10208637
3'-[3-(4-chlorophenoxy)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 16571105
3'-[(5-chloro-2-methoxyphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 17411522
5'-chloro-1'-heptylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18889511
6-chloro-2-hexylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 19845296
(3S)-3'-[2-(2,4-dichlorophenoxy)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 2417216
4-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]butanoic acid
CID 82148971
1,3-bis(4-bromobutyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 13177929
5-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-2,2-dimethylpentanenitrile
CID 136512190
5-(4-chlorophenyl)-3-[3-(3,5-dimethylphenoxy)propyl]-5-ethylimidazolidine-2,4-dione
CID 18272138
(2,4-dichlorophenyl)methyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 8703126

Frequently Asked Questions

What is the IUPAC name of 3'-(3-bromopropyl)-6-chloro-2,2-diethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-(3-bromopropyl)-6-chloro-2,2-diethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione (CID 10025680) is 3'-(3-bromopropyl)-6-chloro-2,2-diethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-(3-bromopropyl)-6-chloro-2,2-diethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-(3-bromopropyl)-6-chloro-2,2-diethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione is CCC1(CC)CC2(NC(=O)N(CCCBr)C2=O)c2cc(Cl)ccc2O1.
What is the InChIKey of 3'-(3-bromopropyl)-6-chloro-2,2-diethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is OHAUSUBIXYHBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrClN2O3/c1-3-17(4-2)11-18(13-10-12(20)6-7-14(13)25-17)15(23)22(9-5-8-19)16(24)21-18/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,21,24).
What are the key properties of 3'-(3-bromopropyl)-6-chloro-2,2-diethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione?
3'-(3-bromopropyl)-6-chloro-2,2-diethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 429.74 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(3-bromopropyl)-6-chloro-2,2-diethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 10025680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).