5-(4-bromophenyl)-3-isoquinolin-4-ylimidazolidine-2,4-dione

C18H12BrN3O2 — CID 166329475

IUPAC5-(4-bromophenyl)-3-isoquinolin-4-ylimidazolidine-2,4-dione
SMILESO=C1NC(c2ccc(Br)cc2)C(=O)N1c1cncc2ccccc12
InChIInChI=1S/C18H12BrN3O2/c19-13-7-5-11(6-8-13)16-17(23)22(18(24)21-16)15-10-20-9-12-3-1-2-4-14(12)15/h1-10,16H,(H,21,24)
InChIKeyLBZMDHQRWUHPOV-UHFFFAOYSA-N
MW382.22 g/mol
LogP3.79
Rot. Bonds2

About 5-(4-bromophenyl)-3-isoquinolin-4-ylimidazolidine-2,4-dione

5-(4-bromophenyl)-3-isoquinolin-4-ylimidazolidine-2,4-dione (PubChem CID 166329475) has the molecular formula C18H12BrN3O2 and a molecular weight of 382.22 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-isoquinolin-4-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-isoquinolin-4-ylimidazolidine-2,4-dione
PubChem CID166329475
Molecular FormulaC18H12BrN3O2
Molecular Weight382.22 g/mol
Exact Mass381.01
IUPAC Name5-(4-bromophenyl)-3-isoquinolin-4-ylimidazolidine-2,4-dione
SMILESO=C1NC(c2ccc(Br)cc2)C(=O)N1c1cncc2ccccc12
InChIInChI=1S/C18H12BrN3O2/c19-13-7-5-11(6-8-13)16-17(23)22(18(24)21-16)15-10-20-9-12-3-1-2-4-14(12)15/h1-10,16H,(H,21,24)
InChIKeyLBZMDHQRWUHPOV-UHFFFAOYSA-N
XLogP3.79
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.22
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4-bromophenyl)-3-isoquinolin-4-ylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(2-chlorophenyl)-3-isoquinolin-4-yl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione
CID 171902698
7-(2-chlorophenyl)-3-isoquinolin-4-yl-4a,5,6,7,8,8a-hexahydro-1H-pyrido[3,2-d]pyrimidine-2,4-dione
CID 171902625
3-isoquinolin-4-yl-6-(2-methyl-3-pyridinyl)-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 171902618
7-(2-chloro-3-methoxyphenyl)-3-isoquinolin-4-yl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione
CID 171902883
6-(2,4-dichloro-6-methylphenyl)-3-isoquinolin-4-yl-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 171903265
6-(2-chloro-4-methyl-3-pyridinyl)-3-isoquinolin-4-yl-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 171902878
2-(3-isoquinolin-4-yl-2,4-dioxo-4a,5,6,7,8,8a-hexahydro-1H-quinazolin-7-yl)-4-methoxybenzonitrile
CID 171902896
6-(2-chloro-4-fluoro-5-methoxyphenyl)-3-isoquinolin-4-yl-7-methyl-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 171903530
(3R)-3-(3-chlorophenyl)-1-isoquinolin-4-ylpyrrolidin-2-one
CID 156906649
6-[2-chloro-6-(hydroxymethyl)phenyl]-3-isoquinolin-4-yl-4a,7a-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 171902823
7-(6-chloro-2-fluoro-3-methoxyphenyl)-3-isoquinolin-4-yl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione
CID 171902910
5-(2-bromophenyl)-3-phenylimidazolidine-2,4-dione
CID 142772512

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-isoquinolin-4-ylimidazolidine-2,4-dione?
The IUPAC name of 5-(4-bromophenyl)-3-isoquinolin-4-ylimidazolidine-2,4-dione (CID 166329475) is 5-(4-bromophenyl)-3-isoquinolin-4-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-bromophenyl)-3-isoquinolin-4-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-(4-bromophenyl)-3-isoquinolin-4-ylimidazolidine-2,4-dione is O=C1NC(c2ccc(Br)cc2)C(=O)N1c1cncc2ccccc12.
What is the InChIKey of 5-(4-bromophenyl)-3-isoquinolin-4-ylimidazolidine-2,4-dione?
The InChIKey is LBZMDHQRWUHPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN3O2/c19-13-7-5-11(6-8-13)16-17(23)22(18(24)21-16)15-10-20-9-12-3-1-2-4-14(12)15/h1-10,16H,(H,21,24).
What are the key properties of 5-(4-bromophenyl)-3-isoquinolin-4-ylimidazolidine-2,4-dione?
5-(4-bromophenyl)-3-isoquinolin-4-ylimidazolidine-2,4-dione has a molecular weight of 382.22 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-isoquinolin-4-ylimidazolidine-2,4-dione is sourced from PubChem (CID 166329475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).