5-(4-bromophenyl)-3-cyclohexyl-1-(4-methoxyphenyl)-2,2-dimethylimidazolidin-4-one

C24H29BrN2O2 — CID 154641594

IUPAC5-(4-bromophenyl)-3-cyclohexyl-1-(4-methoxyphenyl)-2,2-dimethylimidazolidin-4-one
SMILESCOc1ccc(N2C(c3ccc(Br)cc3)C(=O)N(C3CCCCC3)C2(C)C)cc1
InChIInChI=1S/C24H29BrN2O2/c1-24(2)26(20-13-15-21(29-3)16-14-20)22(17-9-11-18(25)12-10-17)23(28)27(24)19-7-5-4-6-8-19/h9-16,19,22H,4-8H2,1-3H3
InChIKeyIUUIHIDXWBLONJ-UHFFFAOYSA-N
MW457.41 g/mol
LogP5.92
Rot. Bonds4

About 5-(4-bromophenyl)-3-cyclohexyl-1-(4-methoxyphenyl)-2,2-dimethylimidazolidin-4-one

5-(4-bromophenyl)-3-cyclohexyl-1-(4-methoxyphenyl)-2,2-dimethylimidazolidin-4-one (PubChem CID 154641594) has the molecular formula C24H29BrN2O2 and a molecular weight of 457.41 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-cyclohexyl-1-(4-methoxyphenyl)-2,2-dimethylimidazolidin-4-one.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-cyclohexyl-1-(4-methoxyphenyl)-2,2-dimethylimidazolidin-4-one
PubChem CID154641594
Molecular FormulaC24H29BrN2O2
Molecular Weight457.41 g/mol
Exact Mass456.14
IUPAC Name5-(4-bromophenyl)-3-cyclohexyl-1-(4-methoxyphenyl)-2,2-dimethylimidazolidin-4-one
SMILESCOc1ccc(N2C(c3ccc(Br)cc3)C(=O)N(C3CCCCC3)C2(C)C)cc1
InChIInChI=1S/C24H29BrN2O2/c1-24(2)26(20-13-15-21(29-3)16-14-20)22(17-9-11-18(25)12-10-17)23(28)27(24)19-7-5-4-6-8-19/h9-16,19,22H,4-8H2,1-3H3
InChIKeyIUUIHIDXWBLONJ-UHFFFAOYSA-N
XLogP5.92
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.41
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-cyclohexyl-1-(4-methoxyphenyl)-2,2-dimethylimidazolidin-4-one?
The IUPAC name of 5-(4-bromophenyl)-3-cyclohexyl-1-(4-methoxyphenyl)-2,2-dimethylimidazolidin-4-one (CID 154641594) is 5-(4-bromophenyl)-3-cyclohexyl-1-(4-methoxyphenyl)-2,2-dimethylimidazolidin-4-one.
What is the SMILES notation for 5-(4-bromophenyl)-3-cyclohexyl-1-(4-methoxyphenyl)-2,2-dimethylimidazolidin-4-one?
The canonical SMILES for 5-(4-bromophenyl)-3-cyclohexyl-1-(4-methoxyphenyl)-2,2-dimethylimidazolidin-4-one is COc1ccc(N2C(c3ccc(Br)cc3)C(=O)N(C3CCCCC3)C2(C)C)cc1.
What is the InChIKey of 5-(4-bromophenyl)-3-cyclohexyl-1-(4-methoxyphenyl)-2,2-dimethylimidazolidin-4-one?
The InChIKey is IUUIHIDXWBLONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrN2O2/c1-24(2)26(20-13-15-21(29-3)16-14-20)22(17-9-11-18(25)12-10-17)23(28)27(24)19-7-5-4-6-8-19/h9-16,19,22H,4-8H2,1-3H3.
What are the key properties of 5-(4-bromophenyl)-3-cyclohexyl-1-(4-methoxyphenyl)-2,2-dimethylimidazolidin-4-one?
5-(4-bromophenyl)-3-cyclohexyl-1-(4-methoxyphenyl)-2,2-dimethylimidazolidin-4-one has a molecular weight of 457.41 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-cyclohexyl-1-(4-methoxyphenyl)-2,2-dimethylimidazolidin-4-one is sourced from PubChem (CID 154641594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).