3-(3-amino-5-chlorophenyl)-5-[(4-bromophenyl)methyl]-5-methylimidazolidine-2,4-dione

C17H15BrClN3O2 — CID 18316656

IUPAC3-(3-amino-5-chlorophenyl)-5-[(4-bromophenyl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(Cc2ccc(Br)cc2)NC(=O)N(c2cc(N)cc(Cl)c2)C1=O
InChIInChI=1S/C17H15BrClN3O2/c1-17(9-10-2-4-11(18)5-3-10)15(23)22(16(24)21-17)14-7-12(19)6-13(20)8-14/h2-8H,9,20H2,1H3,(H,21,24)
InChIKeyNHOVCOFXBWNYQP-UHFFFAOYSA-N
MW408.68 g/mol
LogP3.74
Rot. Bonds3

About 3-(3-amino-5-chlorophenyl)-5-[(4-bromophenyl)methyl]-5-methylimidazolidine-2,4-dione

3-(3-amino-5-chlorophenyl)-5-[(4-bromophenyl)methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 18316656) has the molecular formula C17H15BrClN3O2 and a molecular weight of 408.68 g/mol. Its IUPAC name is 3-(3-amino-5-chlorophenyl)-5-[(4-bromophenyl)methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-amino-5-chlorophenyl)-5-[(4-bromophenyl)methyl]-5-methylimidazolidine-2,4-dione
PubChem CID18316656
Molecular FormulaC17H15BrClN3O2
Molecular Weight408.68 g/mol
Exact Mass407.00
IUPAC Name3-(3-amino-5-chlorophenyl)-5-[(4-bromophenyl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(Cc2ccc(Br)cc2)NC(=O)N(c2cc(N)cc(Cl)c2)C1=O
InChIInChI=1S/C17H15BrClN3O2/c1-17(9-10-2-4-11(18)5-3-10)15(23)22(16(24)21-17)14-7-12(19)6-13(20)8-14/h2-8H,9,20H2,1H3,(H,21,24)
InChIKeyNHOVCOFXBWNYQP-UHFFFAOYSA-N
XLogP3.74
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.68
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-5-chlorophenyl)-5-[(4-bromophenyl)methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-(3-amino-5-chlorophenyl)-5-[(4-bromophenyl)methyl]-5-methylimidazolidine-2,4-dione (CID 18316656) is 3-(3-amino-5-chlorophenyl)-5-[(4-bromophenyl)methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(3-amino-5-chlorophenyl)-5-[(4-bromophenyl)methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-(3-amino-5-chlorophenyl)-5-[(4-bromophenyl)methyl]-5-methylimidazolidine-2,4-dione is CC1(Cc2ccc(Br)cc2)NC(=O)N(c2cc(N)cc(Cl)c2)C1=O.
What is the InChIKey of 3-(3-amino-5-chlorophenyl)-5-[(4-bromophenyl)methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is NHOVCOFXBWNYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClN3O2/c1-17(9-10-2-4-11(18)5-3-10)15(23)22(16(24)21-17)14-7-12(19)6-13(20)8-14/h2-8H,9,20H2,1H3,(H,21,24).
What are the key properties of 3-(3-amino-5-chlorophenyl)-5-[(4-bromophenyl)methyl]-5-methylimidazolidine-2,4-dione?
3-(3-amino-5-chlorophenyl)-5-[(4-bromophenyl)methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 408.68 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-5-chlorophenyl)-5-[(4-bromophenyl)methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 18316656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).