(5S)-3-[(4-bromo-2-fluorophenyl)methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione

C19H18BrFN2O3 — CID 41307521

IUPAC(5S)-3-[(4-bromo-2-fluorophenyl)methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccc(OC)cc2)NC(=O)N(Cc2ccc(Br)cc2F)C1=O
InChIInChI=1S/C19H18BrFN2O3/c1-3-19(13-5-8-15(26-2)9-6-13)17(24)23(18(25)22-19)11-12-4-7-14(20)10-16(12)21/h4-10H,3,11H2,1-2H3,(H,22,25)/t19-/m0/s1
InChIKeyBCZROYBBFAOIHU-IBGZPJMESA-N
MW421.27 g/mol
LogP3.95
Rot. Bonds5

About (5S)-3-[(4-bromo-2-fluorophenyl)methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione

(5S)-3-[(4-bromo-2-fluorophenyl)methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione (PubChem CID 41307521) has the molecular formula C19H18BrFN2O3 and a molecular weight of 421.27 g/mol. Its IUPAC name is (5S)-3-[(4-bromo-2-fluorophenyl)methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(4-bromo-2-fluorophenyl)methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
PubChem CID41307521
Molecular FormulaC19H18BrFN2O3
Molecular Weight421.27 g/mol
Exact Mass420.05
IUPAC Name(5S)-3-[(4-bromo-2-fluorophenyl)methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccc(OC)cc2)NC(=O)N(Cc2ccc(Br)cc2F)C1=O
InChIInChI=1S/C19H18BrFN2O3/c1-3-19(13-5-8-15(26-2)9-6-13)17(24)23(18(25)22-19)11-12-4-7-14(20)10-16(12)21/h4-10H,3,11H2,1-2H3,(H,22,25)/t19-/m0/s1
InChIKeyBCZROYBBFAOIHU-IBGZPJMESA-N
XLogP3.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.27
LogP ≤ 53.95
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

5-ethyl-5-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 16577306
(5S)-3-[(2,5-dimethoxyphenyl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 8571287
(5R)-5-ethyl-3-[(3-fluoro-4-methoxyphenyl)methyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 7595608
5-ethyl-3-[(5-fluoro-2-methoxyphenyl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 51138980
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-[(2-phenoxyphenyl)methyl]imidazolidine-2,4-dione
CID 7595683
(5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 7595682
5-ethyl-5-(4-fluorophenyl)-3-[2-(4-methoxyphenoxy)ethyl]imidazolidine-2,4-dione
CID 4804726
(5R)-3-[(2,4-dichlorophenyl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 7181312
(5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione
CID 9060380
(5S)-3-[(2-chloro-4-fluorophenyl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 2107551
(5R)-3-[(2-chloro-4-fluorophenyl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 6591239
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione
CID 7595657

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(4-bromo-2-fluorophenyl)methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(4-bromo-2-fluorophenyl)methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione (CID 41307521) is (5S)-3-[(4-bromo-2-fluorophenyl)methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(4-bromo-2-fluorophenyl)methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(4-bromo-2-fluorophenyl)methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione is CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(Cc2ccc(Br)cc2F)C1=O.
What is the InChIKey of (5S)-3-[(4-bromo-2-fluorophenyl)methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione?
The InChIKey is BCZROYBBFAOIHU-IBGZPJMESA-N. The full InChI is InChI=1S/C19H18BrFN2O3/c1-3-19(13-5-8-15(26-2)9-6-13)17(24)23(18(25)22-19)11-12-4-7-14(20)10-16(12)21/h4-10H,3,11H2,1-2H3,(H,22,25)/t19-/m0/s1.
What are the key properties of (5S)-3-[(4-bromo-2-fluorophenyl)methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione?
(5S)-3-[(4-bromo-2-fluorophenyl)methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione has a molecular weight of 421.27 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(4-bromo-2-fluorophenyl)methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 41307521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).