3-[(4-bromophenyl)methyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione

C18H15BrF2N2O3 — CID 17404717

IUPAC3-[(4-bromophenyl)methyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(OC(F)F)cc2)NC(=O)N(Cc2ccc(Br)cc2)C1=O
InChIInChI=1S/C18H15BrF2N2O3/c1-18(12-4-8-14(9-5-12)26-16(20)21)15(24)23(17(25)22-18)10-11-2-6-13(19)7-3-11/h2-9,16H,10H2,1H3,(H,22,25)
InChIKeyPFURYHADANUXOT-UHFFFAOYSA-N
MW425.23 g/mol
LogP4.02
Rot. Bonds5

About 3-[(4-bromophenyl)methyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione

3-[(4-bromophenyl)methyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione (PubChem CID 17404717) has the molecular formula C18H15BrF2N2O3 and a molecular weight of 425.23 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
PubChem CID17404717
Molecular FormulaC18H15BrF2N2O3
Molecular Weight425.23 g/mol
Exact Mass424.02
IUPAC Name3-[(4-bromophenyl)methyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(OC(F)F)cc2)NC(=O)N(Cc2ccc(Br)cc2)C1=O
InChIInChI=1S/C18H15BrF2N2O3/c1-18(12-4-8-14(9-5-12)26-16(20)21)15(24)23(17(25)22-18)10-11-2-6-13(19)7-3-11/h2-9,16H,10H2,1H3,(H,22,25)
InChIKeyPFURYHADANUXOT-UHFFFAOYSA-N
XLogP4.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.23
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione
CID 7181454
(5R)-3-(1,3-benzodioxol-5-ylmethyl)-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 7264902
5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(3-propan-2-yloxyphenyl)methyl]imidazolidine-2,4-dione
CID 56684761
5-[4-(difluoromethoxy)phenyl]-3-[(2-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 42964381
(5R)-3-butyl-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 51932049
3-[[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 92509722
(5R)-5-[4-(difluoromethoxy)phenyl]-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 2443511
(5S)-5-[4-(difluoromethoxy)phenyl]-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 2443513
3-[(4-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 16577297
(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(1-propyltetrazol-5-yl)methyl]imidazolidine-2,4-dione
CID 8571381
2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide
CID 2409253
2-[(4S)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 2584855

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(4-bromophenyl)methyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione (CID 17404717) is 3-[(4-bromophenyl)methyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(4-bromophenyl)methyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione is CC1(c2ccc(OC(F)F)cc2)NC(=O)N(Cc2ccc(Br)cc2)C1=O.
What is the InChIKey of 3-[(4-bromophenyl)methyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is PFURYHADANUXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrF2N2O3/c1-18(12-4-8-14(9-5-12)26-16(20)21)15(24)23(17(25)22-18)10-11-2-6-13(19)7-3-11/h2-9,16H,10H2,1H3,(H,22,25).
What are the key properties of 3-[(4-bromophenyl)methyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione?
3-[(4-bromophenyl)methyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 425.23 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 17404717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).