1-(4-bromophenyl)-2,2-dimethyl-5-phenyl-3-(2-phenylethyl)imidazolidin-4-one

C25H25BrN2O — CID 154641589

IUPAC1-(4-bromophenyl)-2,2-dimethyl-5-phenyl-3-(2-phenylethyl)imidazolidin-4-one
SMILESCC1(C)N(CCc2ccccc2)C(=O)C(c2ccccc2)N1c1ccc(Br)cc1
InChIInChI=1S/C25H25BrN2O/c1-25(2)27(18-17-19-9-5-3-6-10-19)24(29)23(20-11-7-4-8-12-20)28(25)22-15-13-21(26)14-16-22/h3-16,23H,17-18H2,1-2H3
InChIKeyUWODOQFWCLETTL-UHFFFAOYSA-N
MW449.39 g/mol
LogP5.82
Rot. Bonds5

About 1-(4-bromophenyl)-2,2-dimethyl-5-phenyl-3-(2-phenylethyl)imidazolidin-4-one

1-(4-bromophenyl)-2,2-dimethyl-5-phenyl-3-(2-phenylethyl)imidazolidin-4-one (PubChem CID 154641589) has the molecular formula C25H25BrN2O and a molecular weight of 449.39 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2,2-dimethyl-5-phenyl-3-(2-phenylethyl)imidazolidin-4-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-2,2-dimethyl-5-phenyl-3-(2-phenylethyl)imidazolidin-4-one
PubChem CID154641589
Molecular FormulaC25H25BrN2O
Molecular Weight449.39 g/mol
Exact Mass448.12
IUPAC Name1-(4-bromophenyl)-2,2-dimethyl-5-phenyl-3-(2-phenylethyl)imidazolidin-4-one
SMILESCC1(C)N(CCc2ccccc2)C(=O)C(c2ccccc2)N1c1ccc(Br)cc1
InChIInChI=1S/C25H25BrN2O/c1-25(2)27(18-17-19-9-5-3-6-10-19)24(29)23(20-11-7-4-8-12-20)28(25)22-15-13-21(26)14-16-22/h3-16,23H,17-18H2,1-2H3
InChIKeyUWODOQFWCLETTL-UHFFFAOYSA-N
XLogP5.82
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.39
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2,2-dimethyl-5-phenyl-3-(2-phenylethyl)imidazolidin-4-one?
The IUPAC name of 1-(4-bromophenyl)-2,2-dimethyl-5-phenyl-3-(2-phenylethyl)imidazolidin-4-one (CID 154641589) is 1-(4-bromophenyl)-2,2-dimethyl-5-phenyl-3-(2-phenylethyl)imidazolidin-4-one.
What is the SMILES notation for 1-(4-bromophenyl)-2,2-dimethyl-5-phenyl-3-(2-phenylethyl)imidazolidin-4-one?
The canonical SMILES for 1-(4-bromophenyl)-2,2-dimethyl-5-phenyl-3-(2-phenylethyl)imidazolidin-4-one is CC1(C)N(CCc2ccccc2)C(=O)C(c2ccccc2)N1c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2,2-dimethyl-5-phenyl-3-(2-phenylethyl)imidazolidin-4-one?
The InChIKey is UWODOQFWCLETTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN2O/c1-25(2)27(18-17-19-9-5-3-6-10-19)24(29)23(20-11-7-4-8-12-20)28(25)22-15-13-21(26)14-16-22/h3-16,23H,17-18H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-2,2-dimethyl-5-phenyl-3-(2-phenylethyl)imidazolidin-4-one?
1-(4-bromophenyl)-2,2-dimethyl-5-phenyl-3-(2-phenylethyl)imidazolidin-4-one has a molecular weight of 449.39 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2,2-dimethyl-5-phenyl-3-(2-phenylethyl)imidazolidin-4-one is sourced from PubChem (CID 154641589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).