(5S)-5-(2-bromophenyl)-5-methyl-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione

C18H17BrN2O2 — CID 40856927

IUPAC(5S)-5-(2-bromophenyl)-5-methyl-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
SMILESCc1ccc(CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)cc1
InChIInChI=1S/C18H17BrN2O2/c1-12-7-9-13(10-8-12)11-21-16(22)18(2,20-17(21)23)14-5-3-4-6-15(14)19/h3-10H,11H2,1-2H3,(H,20,23)/t18-/m0/s1
InChIKeyNOACHWMKRXPRAO-SFHVURJKSA-N
MW373.25 g/mol
LogP3.72
Rot. Bonds3

About (5S)-5-(2-bromophenyl)-5-methyl-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione

(5S)-5-(2-bromophenyl)-5-methyl-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 40856927) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is (5S)-5-(2-bromophenyl)-5-methyl-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(2-bromophenyl)-5-methyl-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
PubChem CID40856927
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Name(5S)-5-(2-bromophenyl)-5-methyl-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
SMILESCc1ccc(CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)cc1
InChIInChI=1S/C18H17BrN2O2/c1-12-7-9-13(10-8-12)11-21-16(22)18(2,20-17(21)23)14-5-3-4-6-15(14)19/h3-10H,11H2,1-2H3,(H,20,23)/t18-/m0/s1
InChIKeyNOACHWMKRXPRAO-SFHVURJKSA-N
XLogP3.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-(2-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 40794994
(5S)-3-benzyl-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51463779
(5S)-3-[(4-bromophenyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 52780588
(5S)-5-(2-bromophenyl)-3-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 40880953
5-(2-bromophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione
CID 4019911
(5S)-5-(2-chlorophenyl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7180510
(5R)-3-[(4-chlorophenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 2092267
(5R)-5-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 6590877
5-methyl-3-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-5-phenylimidazolidine-2,4-dione
CID 46435513
(5R)-3-(1,3-benzothiazol-2-ylmethyl)-5-(2-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 2702495
5-(2-bromophenyl)-5-methyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione
CID 78878886
3-[(4-tert-butylphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 4084225

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2-bromophenyl)-5-methyl-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(2-bromophenyl)-5-methyl-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione (CID 40856927) is (5S)-5-(2-bromophenyl)-5-methyl-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(2-bromophenyl)-5-methyl-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(2-bromophenyl)-5-methyl-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione is Cc1ccc(CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)cc1.
What is the InChIKey of (5S)-5-(2-bromophenyl)-5-methyl-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is NOACHWMKRXPRAO-SFHVURJKSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c1-12-7-9-13(10-8-12)11-21-16(22)18(2,20-17(21)23)14-5-3-4-6-15(14)19/h3-10H,11H2,1-2H3,(H,20,23)/t18-/m0/s1.
What are the key properties of (5S)-5-(2-bromophenyl)-5-methyl-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione?
(5S)-5-(2-bromophenyl)-5-methyl-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 373.25 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-bromophenyl)-5-methyl-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 40856927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).