(5S)-3-(4-bromophenyl)-4-(3,5-dimethylphenyl)-4-hydroxy-5-methyl-1-(4-methylphenyl)imidazolidin-2-one

C25H25BrN2O2 — CID 163570312

IUPAC(5S)-3-(4-bromophenyl)-4-(3,5-dimethylphenyl)-4-hydroxy-5-methyl-1-(4-methylphenyl)imidazolidin-2-one
SMILESCc1ccc(N2C(=O)N(c3ccc(Br)cc3)C(O)(c3cc(C)cc(C)c3)[C@@H]2C)cc1
InChIInChI=1S/C25H25BrN2O2/c1-16-5-9-22(10-6-16)27-19(4)25(30,20-14-17(2)13-18(3)15-20)28(24(27)29)23-11-7-21(26)8-12-23/h5-15,19,30H,1-4H3/t19-,25?/m0/s1
InChIKeyFYUANNZQWAIEDO-UBDBMELISA-N
MW465.39 g/mol
LogP6.05
Rot. Bonds3

About (5S)-3-(4-bromophenyl)-4-(3,5-dimethylphenyl)-4-hydroxy-5-methyl-1-(4-methylphenyl)imidazolidin-2-one

(5S)-3-(4-bromophenyl)-4-(3,5-dimethylphenyl)-4-hydroxy-5-methyl-1-(4-methylphenyl)imidazolidin-2-one (PubChem CID 163570312) has the molecular formula C25H25BrN2O2 and a molecular weight of 465.39 g/mol. Its IUPAC name is (5S)-3-(4-bromophenyl)-4-(3,5-dimethylphenyl)-4-hydroxy-5-methyl-1-(4-methylphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-(4-bromophenyl)-4-(3,5-dimethylphenyl)-4-hydroxy-5-methyl-1-(4-methylphenyl)imidazolidin-2-one
PubChem CID163570312
Molecular FormulaC25H25BrN2O2
Molecular Weight465.39 g/mol
Exact Mass464.11
IUPAC Name(5S)-3-(4-bromophenyl)-4-(3,5-dimethylphenyl)-4-hydroxy-5-methyl-1-(4-methylphenyl)imidazolidin-2-one
SMILESCc1ccc(N2C(=O)N(c3ccc(Br)cc3)C(O)(c3cc(C)cc(C)c3)[C@@H]2C)cc1
InChIInChI=1S/C25H25BrN2O2/c1-16-5-9-22(10-6-16)27-19(4)25(30,20-14-17(2)13-18(3)15-20)28(24(27)29)23-11-7-21(26)8-12-23/h5-15,19,30H,1-4H3/t19-,25?/m0/s1
InChIKeyFYUANNZQWAIEDO-UBDBMELISA-N
XLogP6.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.39
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(4-bromophenyl)-4-(3,5-dimethylphenyl)-4-hydroxy-5-methyl-1-(4-methylphenyl)imidazolidin-2-one?
The IUPAC name of (5S)-3-(4-bromophenyl)-4-(3,5-dimethylphenyl)-4-hydroxy-5-methyl-1-(4-methylphenyl)imidazolidin-2-one (CID 163570312) is (5S)-3-(4-bromophenyl)-4-(3,5-dimethylphenyl)-4-hydroxy-5-methyl-1-(4-methylphenyl)imidazolidin-2-one.
What is the SMILES notation for (5S)-3-(4-bromophenyl)-4-(3,5-dimethylphenyl)-4-hydroxy-5-methyl-1-(4-methylphenyl)imidazolidin-2-one?
The canonical SMILES for (5S)-3-(4-bromophenyl)-4-(3,5-dimethylphenyl)-4-hydroxy-5-methyl-1-(4-methylphenyl)imidazolidin-2-one is Cc1ccc(N2C(=O)N(c3ccc(Br)cc3)C(O)(c3cc(C)cc(C)c3)[C@@H]2C)cc1.
What is the InChIKey of (5S)-3-(4-bromophenyl)-4-(3,5-dimethylphenyl)-4-hydroxy-5-methyl-1-(4-methylphenyl)imidazolidin-2-one?
The InChIKey is FYUANNZQWAIEDO-UBDBMELISA-N. The full InChI is InChI=1S/C25H25BrN2O2/c1-16-5-9-22(10-6-16)27-19(4)25(30,20-14-17(2)13-18(3)15-20)28(24(27)29)23-11-7-21(26)8-12-23/h5-15,19,30H,1-4H3/t19-,25?/m0/s1.
What are the key properties of (5S)-3-(4-bromophenyl)-4-(3,5-dimethylphenyl)-4-hydroxy-5-methyl-1-(4-methylphenyl)imidazolidin-2-one?
(5S)-3-(4-bromophenyl)-4-(3,5-dimethylphenyl)-4-hydroxy-5-methyl-1-(4-methylphenyl)imidazolidin-2-one has a molecular weight of 465.39 g/mol, XLogP of 6.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(4-bromophenyl)-4-(3,5-dimethylphenyl)-4-hydroxy-5-methyl-1-(4-methylphenyl)imidazolidin-2-one is sourced from PubChem (CID 163570312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).