1-(4-bromophenyl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione

C20H18BrN3O3 — CID 2228525

IUPAC1-(4-bromophenyl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESO=C1CN(c2ccc(Br)cc2)C(=O)N1CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H18BrN3O3/c21-15-7-9-16(10-8-15)23-12-19(26)24(20(23)27)13-18(25)22-11-3-5-14-4-1-2-6-17(14)22/h1-2,4,6-10H,3,5,11-13H2
InChIKeyGWERRMPVBJOLKR-UHFFFAOYSA-N
MW428.29 g/mol
LogP3.20
Rot. Bonds3

About 1-(4-bromophenyl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione

1-(4-bromophenyl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 2228525) has the molecular formula C20H18BrN3O3 and a molecular weight of 428.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID2228525
Molecular FormulaC20H18BrN3O3
Molecular Weight428.29 g/mol
Exact Mass427.05
IUPAC Name1-(4-bromophenyl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESO=C1CN(c2ccc(Br)cc2)C(=O)N1CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H18BrN3O3/c21-15-7-9-16(10-8-15)23-12-19(26)24(20(23)27)13-18(25)22-11-3-5-14-4-1-2-6-17(14)22/h1-2,4,6-10H,3,5,11-13H2
InChIKeyGWERRMPVBJOLKR-UHFFFAOYSA-N
XLogP3.20
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.29
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 1-(4-bromophenyl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione (CID 2228525) is 1-(4-bromophenyl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-(4-bromophenyl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-(4-bromophenyl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione is O=C1CN(c2ccc(Br)cc2)C(=O)N1CC(=O)N1CCCc2ccccc21.
What is the InChIKey of 1-(4-bromophenyl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is GWERRMPVBJOLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O3/c21-15-7-9-16(10-8-15)23-12-19(26)24(20(23)27)13-18(25)22-11-3-5-14-4-1-2-6-17(14)22/h1-2,4,6-10H,3,5,11-13H2.
What are the key properties of 1-(4-bromophenyl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
1-(4-bromophenyl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 428.29 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 2228525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).