(5R)-3-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione

C18H14Br2N2O4 — CID 41190166

IUPAC(5R)-3-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2cccc(Br)c2)NC(=O)N(Cc2cc3c(cc2Br)OCO3)C1=O
InChIInChI=1S/C18H14Br2N2O4/c1-18(11-3-2-4-12(19)6-11)16(23)22(17(24)21-18)8-10-5-14-15(7-13(10)20)26-9-25-14/h2-7H,8-9H2,1H3,(H,21,24)/t18-/m1/s1
InChIKeyRWEIUXCOEJHKGT-GOSISDBHSA-N
MW482.13 g/mol
LogP3.91
Rot. Bonds3

About (5R)-3-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione

(5R)-3-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 41190166) has the molecular formula C18H14Br2N2O4 and a molecular weight of 482.13 g/mol. Its IUPAC name is (5R)-3-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID41190166
Molecular FormulaC18H14Br2N2O4
Molecular Weight482.13 g/mol
Exact Mass479.93
IUPAC Name(5R)-3-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2cccc(Br)c2)NC(=O)N(Cc2cc3c(cc2Br)OCO3)C1=O
InChIInChI=1S/C18H14Br2N2O4/c1-18(11-3-2-4-12(19)6-11)16(23)22(17(24)21-18)8-10-5-14-15(7-13(10)20)26-9-25-14/h2-7H,8-9H2,1H3,(H,21,24)/t18-/m1/s1
InChIKeyRWEIUXCOEJHKGT-GOSISDBHSA-N
XLogP3.91
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.13
LogP ≤ 53.91
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

(5S)-3-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 40789411
3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 24687542
3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 4804422
(5S)-3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 7178046
5-(3-bromophenyl)-3-[(2,4-dichlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 3596567
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 25323209
(5S)-5-(3-bromophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 52514080
(5S)-5-(1,3-benzodioxol-5-yl)-3-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione
CID 7359238
(5R)-5-(3-bromophenyl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione
CID 7178072
4-[[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 6591353
4-[[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 2117374
5-(1,3-benzodioxol-5-yl)-3-[(3-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 17450276

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione (CID 41190166) is (5R)-3-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione is C[C@]1(c2cccc(Br)c2)NC(=O)N(Cc2cc3c(cc2Br)OCO3)C1=O.
What is the InChIKey of (5R)-3-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is RWEIUXCOEJHKGT-GOSISDBHSA-N. The full InChI is InChI=1S/C18H14Br2N2O4/c1-18(11-3-2-4-12(19)6-11)16(23)22(17(24)21-18)8-10-5-14-15(7-13(10)20)26-9-25-14/h2-7H,8-9H2,1H3,(H,21,24)/t18-/m1/s1.
What are the key properties of (5R)-3-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione?
(5R)-3-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 482.13 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 41190166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).