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

C18H16BrCl2N3O2 — CID 18318322

IUPAC5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-1-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCN1C(=O)N(c2cc(Cl)nc(Cl)c2)C(=O)C1(C)Cc1ccc(Br)cc1
InChIInChI=1S/C18H16BrCl2N3O2/c1-3-23-17(26)24(13-8-14(20)22-15(21)9-13)16(25)18(23,2)10-11-4-6-12(19)7-5-11/h4-9H,3,10H2,1-2H3
InChIKeyIIJLOXNDVWGVMJ-UHFFFAOYSA-N
MW457.16 g/mol
LogP4.94
Rot. Bonds4

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

5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-1-ethyl-5-methylimidazolidine-2,4-dione (PubChem CID 18318322) has the molecular formula C18H16BrCl2N3O2 and a molecular weight of 457.16 g/mol. Its IUPAC name is 5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-1-ethyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-1-ethyl-5-methylimidazolidine-2,4-dione
PubChem CID18318322
Molecular FormulaC18H16BrCl2N3O2
Molecular Weight457.16 g/mol
Exact Mass454.98
IUPAC Name5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-1-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCN1C(=O)N(c2cc(Cl)nc(Cl)c2)C(=O)C1(C)Cc1ccc(Br)cc1
InChIInChI=1S/C18H16BrCl2N3O2/c1-3-23-17(26)24(13-8-14(20)22-15(21)9-13)16(25)18(23,2)10-11-4-6-12(19)7-5-11/h4-9H,3,10H2,1-2H3
InChIKeyIIJLOXNDVWGVMJ-UHFFFAOYSA-N
XLogP4.94
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.16
LogP ≤ 54.94
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-ethyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-1-ethyl-5-methylimidazolidine-2,4-dione (CID 18318322) is 5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-1-ethyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-1-ethyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-1-ethyl-5-methylimidazolidine-2,4-dione is CCN1C(=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-ethyl-5-methylimidazolidine-2,4-dione?
The InChIKey is IIJLOXNDVWGVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrCl2N3O2/c1-3-23-17(26)24(13-8-14(20)22-15(21)9-13)16(25)18(23,2)10-11-4-6-12(19)7-5-11/h4-9H,3,10H2,1-2H3.
What are the key properties of 5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-1-ethyl-5-methylimidazolidine-2,4-dione?
5-[(4-bromophenyl)methyl]-3-(2,6-dichloro-4-pyridinyl)-1-ethyl-5-methylimidazolidine-2,4-dione has a molecular weight of 457.16 g/mol, XLogP of 4.94, 4 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-ethyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 18318322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).