3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione

C17H11BrCl2N4O4 — CID 42966453

IUPAC3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2nnc(-c3ccc(Br)o3)o2)C1=O
InChIInChI=1S/C17H11BrCl2N4O4/c1-17(9-3-2-8(19)6-10(9)20)15(25)24(16(26)21-17)7-13-22-23-14(28-13)11-4-5-12(18)27-11/h2-6H,7H2,1H3,(H,21,26)
InChIKeyDQWZJNFKHWJFKQ-UHFFFAOYSA-N
MW486.11 g/mol
LogP4.37
Rot. Bonds4

About 3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione

3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 42966453) has the molecular formula C17H11BrCl2N4O4 and a molecular weight of 486.11 g/mol. Its IUPAC name is 3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID42966453
Molecular FormulaC17H11BrCl2N4O4
Molecular Weight486.11 g/mol
Exact Mass483.93
IUPAC Name3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2nnc(-c3ccc(Br)o3)o2)C1=O
InChIInChI=1S/C17H11BrCl2N4O4/c1-17(9-3-2-8(19)6-10(9)20)15(25)24(16(26)21-17)7-13-22-23-14(28-13)11-4-5-12(18)27-11/h2-6H,7H2,1H3,(H,21,26)
InChIKeyDQWZJNFKHWJFKQ-UHFFFAOYSA-N
XLogP4.37
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.11
LogP ≤ 54.37
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

2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile
CID 2691204
5-(2,4-dichlorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 43030300
3-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-5-(2-chloro-4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 56517084
2-[[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 7565535
5-(2-chloro-4-fluorophenyl)-3-[(4-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 56518049
2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 2704475
(5R)-5-(2,4-dichlorophenyl)-3-[2-(2-fluorophenyl)sulfanylethyl]-5-methylimidazolidine-2,4-dione
CID 7181192
5-(2,4-dichlorophenyl)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 24576784
5-(4-chlorophenyl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione
CID 112787554
(5R)-3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione
CID 26012130
3-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)propanamide
CID 51954629
5-(2,4-dichlorophenyl)-5-methyl-3-[(5-nitrothiophen-3-yl)methyl]imidazolidine-2,4-dione
CID 60524466

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione (CID 42966453) is 3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione is CC1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2nnc(-c3ccc(Br)o3)o2)C1=O.
What is the InChIKey of 3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is DQWZJNFKHWJFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrCl2N4O4/c1-17(9-3-2-8(19)6-10(9)20)15(25)24(16(26)21-17)7-13-22-23-14(28-13)11-4-5-12(18)27-11/h2-6H,7H2,1H3,(H,21,26).
What are the key properties of 3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione?
3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 486.11 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 42966453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).