3-[(3-bromophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione

C16H15BrN2O3 — CID 60617594

IUPAC3-[(3-bromophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione
SMILESCc1ccc(C2(C)NC(=O)N(Cc3cccc(Br)c3)C2=O)o1
InChIInChI=1S/C16H15BrN2O3/c1-10-6-7-13(22-10)16(2)14(20)19(15(21)18-16)9-11-4-3-5-12(17)8-11/h3-8H,9H2,1-2H3,(H,18,21)
InChIKeyZPZSYHMIVHDSJW-UHFFFAOYSA-N
MW363.21 g/mol
LogP3.32
Rot. Bonds3

About 3-[(3-bromophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione

3-[(3-bromophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione (PubChem CID 60617594) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3-bromophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione
PubChem CID60617594
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC Name3-[(3-bromophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione
SMILESCc1ccc(C2(C)NC(=O)N(Cc3cccc(Br)c3)C2=O)o1
InChIInChI=1S/C16H15BrN2O3/c1-10-6-7-13(22-10)16(2)14(20)19(15(21)18-16)9-11-4-3-5-12(17)8-11/h3-8H,9H2,1-2H3,(H,18,21)
InChIKeyZPZSYHMIVHDSJW-UHFFFAOYSA-N
XLogP3.32
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 53.32
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

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
3-[(3-bromophenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 43029260
(5S)-5-methyl-5-(5-methylfuran-2-yl)-3-[(5-nitrothiophen-3-yl)methyl]imidazolidine-2,4-dione
CID 95282818
(5R)-5-(3-bromophenyl)-5-methyl-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 2710989
3-[(3-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 47094861
(5S)-5-(3-bromophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 52514080
(5S)-5-methyl-3-[(3-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 7177858
(5R)-5-(3-bromophenyl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione
CID 7178072
3-[(3-methoxy-1,2-thiazol-4-yl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione
CID 167945121
5-methyl-5-(5-methylfuran-2-yl)-3-[2-(oxetan-3-yl)ethyl]imidazolidine-2,4-dione
CID 146142126
(5S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione
CID 94814004

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione?
The IUPAC name of 3-[(3-bromophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione (CID 60617594) is 3-[(3-bromophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(3-bromophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[(3-bromophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione is Cc1ccc(C2(C)NC(=O)N(Cc3cccc(Br)c3)C2=O)o1.
What is the InChIKey of 3-[(3-bromophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione?
The InChIKey is ZPZSYHMIVHDSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c1-10-6-7-13(22-10)16(2)14(20)19(15(21)18-16)9-11-4-3-5-12(17)8-11/h3-8H,9H2,1-2H3,(H,18,21).
What are the key properties of 3-[(3-bromophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione?
3-[(3-bromophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione has a molecular weight of 363.21 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 60617594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).