1-(3-bromo-4-methylphenyl)-3-(3-methyl-2,4-dioxoimidazolidin-1-yl)urea

C12H13BrN4O3 — CID 75453174

IUPAC1-(3-bromo-4-methylphenyl)-3-(3-methyl-2,4-dioxoimidazolidin-1-yl)urea
SMILESCc1ccc(NC(=O)NN2CC(=O)N(C)C2=O)cc1Br
InChIInChI=1S/C12H13BrN4O3/c1-7-3-4-8(5-9(7)13)14-11(19)15-17-6-10(18)16(2)12(17)20/h3-5H,6H2,1-2H3,(H2,14,15,19)
InChIKeyXTLRINUZNFKXJQ-UHFFFAOYSA-N
MW341.17 g/mol
LogP1.69
Rot. Bonds2

About 1-(3-bromo-4-methylphenyl)-3-(3-methyl-2,4-dioxoimidazolidin-1-yl)urea

1-(3-bromo-4-methylphenyl)-3-(3-methyl-2,4-dioxoimidazolidin-1-yl)urea (PubChem CID 75453174) has the molecular formula C12H13BrN4O3 and a molecular weight of 341.17 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-3-(3-methyl-2,4-dioxoimidazolidin-1-yl)urea.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-3-(3-methyl-2,4-dioxoimidazolidin-1-yl)urea
PubChem CID75453174
Molecular FormulaC12H13BrN4O3
Molecular Weight341.17 g/mol
Exact Mass340.02
IUPAC Name1-(3-bromo-4-methylphenyl)-3-(3-methyl-2,4-dioxoimidazolidin-1-yl)urea
SMILESCc1ccc(NC(=O)NN2CC(=O)N(C)C2=O)cc1Br
InChIInChI=1S/C12H13BrN4O3/c1-7-3-4-8(5-9(7)13)14-11(19)15-17-6-10(18)16(2)12(17)20/h3-5H,6H2,1-2H3,(H2,14,15,19)
InChIKeyXTLRINUZNFKXJQ-UHFFFAOYSA-N
XLogP1.69
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.17
LogP ≤ 51.69
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

1-(3-bromo-4-methylphenyl)-3-(4-methylphenyl)urea
CID 60728805
1-(3-bromo-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 110866440
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
N-(3-bromo-4-methylphenyl)-2-chloroacetamide
CID 2110928
3-amino-N-(3-bromo-4-methylphenyl)-3-sulfanylidenepropanamide
CID 63334451
1-(3-bromo-4-methylphenyl)-3-(3-chloro-4-fluorophenyl)urea
CID 108991868
1-(3-bromo-4-methylphenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 111111691
N-(3-bromo-4-methylphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 63334680
N-(3-bromo-4-methylphenyl)-3-piperidin-1-ylpropanamide
CID 778184
1-(3-bromo-4-methylphenyl)-3-(thiophen-3-ylmethyl)urea
CID 78874516
N-(3-bromo-4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride
CID 90485277
2-amino-N-(3-bromo-4-methylphenyl)propanamide
CID 63334898

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-3-(3-methyl-2,4-dioxoimidazolidin-1-yl)urea?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-3-(3-methyl-2,4-dioxoimidazolidin-1-yl)urea (CID 75453174) is 1-(3-bromo-4-methylphenyl)-3-(3-methyl-2,4-dioxoimidazolidin-1-yl)urea.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-3-(3-methyl-2,4-dioxoimidazolidin-1-yl)urea?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-3-(3-methyl-2,4-dioxoimidazolidin-1-yl)urea is Cc1ccc(NC(=O)NN2CC(=O)N(C)C2=O)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-3-(3-methyl-2,4-dioxoimidazolidin-1-yl)urea?
The InChIKey is XTLRINUZNFKXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O3/c1-7-3-4-8(5-9(7)13)14-11(19)15-17-6-10(18)16(2)12(17)20/h3-5H,6H2,1-2H3,(H2,14,15,19).
What are the key properties of 1-(3-bromo-4-methylphenyl)-3-(3-methyl-2,4-dioxoimidazolidin-1-yl)urea?
1-(3-bromo-4-methylphenyl)-3-(3-methyl-2,4-dioxoimidazolidin-1-yl)urea has a molecular weight of 341.17 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-3-(3-methyl-2,4-dioxoimidazolidin-1-yl)urea is sourced from PubChem (CID 75453174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).