(5R)-3-[(3-bromo-4-methoxyphenyl)methyl]-5-(5-chlorothiophen-2-yl)-5-methylimidazolidine-2,4-dione

C16H14BrClN2O3S — CID 52533599

IUPAC(5R)-3-[(3-bromo-4-methoxyphenyl)methyl]-5-(5-chlorothiophen-2-yl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)cc1Br
InChIInChI=1S/C16H14BrClN2O3S/c1-16(12-5-6-13(18)24-12)14(21)20(15(22)19-16)8-9-3-4-11(23-2)10(17)7-9/h3-7H,8H2,1-2H3,(H,19,22)/t16-/m0/s1
InChIKeyFTZOKUHFJKAYMU-INIZCTEOSA-N
MW429.72 g/mol
LogP4.14
Rot. Bonds4

About (5R)-3-[(3-bromo-4-methoxyphenyl)methyl]-5-(5-chlorothiophen-2-yl)-5-methylimidazolidine-2,4-dione

(5R)-3-[(3-bromo-4-methoxyphenyl)methyl]-5-(5-chlorothiophen-2-yl)-5-methylimidazolidine-2,4-dione (PubChem CID 52533599) has the molecular formula C16H14BrClN2O3S and a molecular weight of 429.72 g/mol. Its IUPAC name is (5R)-3-[(3-bromo-4-methoxyphenyl)methyl]-5-(5-chlorothiophen-2-yl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(3-bromo-4-methoxyphenyl)methyl]-5-(5-chlorothiophen-2-yl)-5-methylimidazolidine-2,4-dione
PubChem CID52533599
Molecular FormulaC16H14BrClN2O3S
Molecular Weight429.72 g/mol
Exact Mass427.96
IUPAC Name(5R)-3-[(3-bromo-4-methoxyphenyl)methyl]-5-(5-chlorothiophen-2-yl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)cc1Br
InChIInChI=1S/C16H14BrClN2O3S/c1-16(12-5-6-13(18)24-12)14(21)20(15(22)19-16)8-9-3-4-11(23-2)10(17)7-9/h3-7H,8H2,1-2H3,(H,19,22)/t16-/m0/s1
InChIKeyFTZOKUHFJKAYMU-INIZCTEOSA-N
XLogP4.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.72
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-chlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 17458173
(5R)-5-(5-chlorothiophen-2-yl)-5-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione
CID 95325192
(5S)-5-(5-chlorothiophen-2-yl)-5-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4-dione
CID 95339858
1-[(3-bromo-4-methoxyphenyl)methyl]pyridin-4-one
CID 55127426
(5R)-5-(furan-2-yl)-3-[(4-methoxy-3-methylphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 125419949
5-(2-methoxy-5-methylphenyl)-5-methyl-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 71915407
2-[(3-bromo-4-methoxyphenyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 17477501
(5S)-5-(2-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 40794994
3-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 16571185
1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylimidazolidine-2,4,5-trione
CID 8627201
(5S)-3-[(2,6-dichlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 7987019
3-[(4-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 16577297

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(3-bromo-4-methoxyphenyl)methyl]-5-(5-chlorothiophen-2-yl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(3-bromo-4-methoxyphenyl)methyl]-5-(5-chlorothiophen-2-yl)-5-methylimidazolidine-2,4-dione (CID 52533599) is (5R)-3-[(3-bromo-4-methoxyphenyl)methyl]-5-(5-chlorothiophen-2-yl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(3-bromo-4-methoxyphenyl)methyl]-5-(5-chlorothiophen-2-yl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(3-bromo-4-methoxyphenyl)methyl]-5-(5-chlorothiophen-2-yl)-5-methylimidazolidine-2,4-dione is COc1ccc(CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)cc1Br.
What is the InChIKey of (5R)-3-[(3-bromo-4-methoxyphenyl)methyl]-5-(5-chlorothiophen-2-yl)-5-methylimidazolidine-2,4-dione?
The InChIKey is FTZOKUHFJKAYMU-INIZCTEOSA-N. The full InChI is InChI=1S/C16H14BrClN2O3S/c1-16(12-5-6-13(18)24-12)14(21)20(15(22)19-16)8-9-3-4-11(23-2)10(17)7-9/h3-7H,8H2,1-2H3,(H,19,22)/t16-/m0/s1.
What are the key properties of (5R)-3-[(3-bromo-4-methoxyphenyl)methyl]-5-(5-chlorothiophen-2-yl)-5-methylimidazolidine-2,4-dione?
(5R)-3-[(3-bromo-4-methoxyphenyl)methyl]-5-(5-chlorothiophen-2-yl)-5-methylimidazolidine-2,4-dione has a molecular weight of 429.72 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(3-bromo-4-methoxyphenyl)methyl]-5-(5-chlorothiophen-2-yl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 52533599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).