5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-1,5-dimethylimidazolidine-2,4-dione

C17H14BrCl2N3O2 — CID 10275200

IUPAC5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-1,5-dimethylimidazolidine-2,4-dione
SMILESCN1C(=O)N(c2cc(Cl)nc(Cl)c2)C(=O)C1(C)Cc1ccc(Br)cc1
InChIInChI=1S/C17H14BrCl2N3O2/c1-17(9-10-3-5-11(18)6-4-10)15(24)23(16(25)22(17)2)12-7-13(19)21-14(20)8-12/h3-8H,9H2,1-2H3
InChIKeyHUPYYYHFRCJCSN-UHFFFAOYSA-N
MW443.13 g/mol
LogP4.55
Rot. Bonds3

About 5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-1,5-dimethylimidazolidine-2,4-dione

5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-1,5-dimethylimidazolidine-2,4-dione (PubChem CID 10275200) has the molecular formula C17H14BrCl2N3O2 and a molecular weight of 443.13 g/mol. Its IUPAC name is 5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-1,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-1,5-dimethylimidazolidine-2,4-dione
PubChem CID10275200
Molecular FormulaC17H14BrCl2N3O2
Molecular Weight443.13 g/mol
Exact Mass440.96
IUPAC Name5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-1,5-dimethylimidazolidine-2,4-dione
SMILESCN1C(=O)N(c2cc(Cl)nc(Cl)c2)C(=O)C1(C)Cc1ccc(Br)cc1
InChIInChI=1S/C17H14BrCl2N3O2/c1-17(9-10-3-5-11(18)6-4-10)15(24)23(16(25)22(17)2)12-7-13(19)21-14(20)8-12/h3-8H,9H2,1-2H3
InChIKeyHUPYYYHFRCJCSN-UHFFFAOYSA-N
XLogP4.55
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.13
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-1,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-1,5-dimethylimidazolidine-2,4-dione (CID 10275200) is 5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-1,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-1,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-1,5-dimethylimidazolidine-2,4-dione is CN1C(=O)N(c2cc(Cl)nc(Cl)c2)C(=O)C1(C)Cc1ccc(Br)cc1.
What is the InChIKey of 5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-1,5-dimethylimidazolidine-2,4-dione?
The InChIKey is HUPYYYHFRCJCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrCl2N3O2/c1-17(9-10-3-5-11(18)6-4-10)15(24)23(16(25)22(17)2)12-7-13(19)21-14(20)8-12/h3-8H,9H2,1-2H3.
What are the key properties of 5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-1,5-dimethylimidazolidine-2,4-dione?
5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-1,5-dimethylimidazolidine-2,4-dione has a molecular weight of 443.13 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-1,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 10275200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).