1-(4-bromo-2-fluorophenyl)-3-[3-[2-(4-chlorophenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]urea

C19H17BrClFN4O3 — CID 71572483

IUPAC1-(4-bromo-2-fluorophenyl)-3-[3-[2-(4-chlorophenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]urea
SMILESCC1C(=O)N(NC(=O)Nc2ccc(Br)cc2F)C(=O)N1CCc1ccc(Cl)cc1
InChIInChI=1S/C19H17BrClFN4O3/c1-11-17(27)26(24-18(28)23-16-7-4-13(20)10-15(16)22)19(29)25(11)9-8-12-2-5-14(21)6-3-12/h2-7,10-11H,8-9H2,1H3,(H2,23,24,28)
InChIKeyGNQPSCYTEYDULO-UHFFFAOYSA-N
MW483.73 g/mol
LogP4.17
Rot. Bonds5

About 1-(4-bromo-2-fluorophenyl)-3-[3-[2-(4-chlorophenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]urea

1-(4-bromo-2-fluorophenyl)-3-[3-[2-(4-chlorophenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]urea (PubChem CID 71572483) has the molecular formula C19H17BrClFN4O3 and a molecular weight of 483.73 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-[3-[2-(4-chlorophenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]urea.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-[3-[2-(4-chlorophenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]urea
PubChem CID71572483
Molecular FormulaC19H17BrClFN4O3
Molecular Weight483.73 g/mol
Exact Mass482.02
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-[3-[2-(4-chlorophenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]urea
SMILESCC1C(=O)N(NC(=O)Nc2ccc(Br)cc2F)C(=O)N1CCc1ccc(Cl)cc1
InChIInChI=1S/C19H17BrClFN4O3/c1-11-17(27)26(24-18(28)23-16-7-4-13(20)10-15(16)22)19(29)25(11)9-8-12-2-5-14(21)6-3-12/h2-7,10-11H,8-9H2,1H3,(H2,23,24,28)
InChIKeyGNQPSCYTEYDULO-UHFFFAOYSA-N
XLogP4.17
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.73
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-[3-[2-(4-chlorophenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]urea?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-[3-[2-(4-chlorophenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]urea (CID 71572483) is 1-(4-bromo-2-fluorophenyl)-3-[3-[2-(4-chlorophenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]urea.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-[3-[2-(4-chlorophenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]urea?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-[3-[2-(4-chlorophenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]urea is CC1C(=O)N(NC(=O)Nc2ccc(Br)cc2F)C(=O)N1CCc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-[3-[2-(4-chlorophenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]urea?
The InChIKey is GNQPSCYTEYDULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrClFN4O3/c1-11-17(27)26(24-18(28)23-16-7-4-13(20)10-15(16)22)19(29)25(11)9-8-12-2-5-14(21)6-3-12/h2-7,10-11H,8-9H2,1H3,(H2,23,24,28).
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-[3-[2-(4-chlorophenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]urea?
1-(4-bromo-2-fluorophenyl)-3-[3-[2-(4-chlorophenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]urea has a molecular weight of 483.73 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-[3-[2-(4-chlorophenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]urea is sourced from PubChem (CID 71572483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).