5-(4-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-propan-2-ylimidazolidine-2,4-dione

C17H15BrFN3O2 — CID 167944080

IUPAC5-(4-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)N1C(=O)N(c2cncc(F)c2)C(=O)C1c1ccc(Br)cc1
InChIInChI=1S/C17H15BrFN3O2/c1-10(2)21-15(11-3-5-12(18)6-4-11)16(23)22(17(21)24)14-7-13(19)8-20-9-14/h3-10,15H,1-2H3
InChIKeyVALYGGKTCSEZAN-UHFFFAOYSA-N
MW392.23 g/mol
LogP3.90
Rot. Bonds3

About 5-(4-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-propan-2-ylimidazolidine-2,4-dione

5-(4-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-propan-2-ylimidazolidine-2,4-dione (PubChem CID 167944080) has the molecular formula C17H15BrFN3O2 and a molecular weight of 392.23 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-propan-2-ylimidazolidine-2,4-dione
PubChem CID167944080
Molecular FormulaC17H15BrFN3O2
Molecular Weight392.23 g/mol
Exact Mass391.03
IUPAC Name5-(4-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)N1C(=O)N(c2cncc(F)c2)C(=O)C1c1ccc(Br)cc1
InChIInChI=1S/C17H15BrFN3O2/c1-10(2)21-15(11-3-5-12(18)6-4-11)16(23)22(17(21)24)14-7-13(19)8-20-9-14/h3-10,15H,1-2H3
InChIKeyVALYGGKTCSEZAN-UHFFFAOYSA-N
XLogP3.90
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.23
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-Bromophenyl)-1,3-dimethyl-6-pentyl-1H,2H,3H,4H,6H-pyrrolo[3,4-D]pyrimidine-2,4-dione
CID 16014640
5-(4-Bromophenyl)-6-butyl-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-D]pyrimidine-2,4-dione
CID 16014644
5-(5-Bromo-2-pyridinyl)-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 155535143
5-(4-bromophenyl)-6-(4-fluorobenzyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 4900916
2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide
CID 24819931
6-Bromo-1-(2-phenylacetyl)-3-prop-1-en-2-ylimidazo[4,5-b]pyridin-2-one
CID 145978216
(5S)-5-(cyclohexylmethyl)-3-(5-fluoropyridin-3-yl)imidazolidine-2,4-dione
CID 162625288
(4-Bromo-2-fluorophenyl)-(2,3-dihydropyrrolo[2,3-c]pyridin-1-yl)methanone
CID 75450655
1-Benzoyl-6-bromo-3-prop-1-en-2-ylimidazo[4,5-b]pyridin-2-one
CID 145977283
(5S)-5-benzyl-3-(5-fluoro-3-pyridinyl)imidazolidine-2,4-dione
CID 166321008
(5S)-5-(cyclohexylmethyl)-3-(4-methyl-3-pyridinyl)imidazolidine-2,4-dione
CID 177375223
7-(5-Bromo-2-fluoropyridin-3-yl)-2-(2-chlorophenyl)-5,7-diazaspiro[3.4]octane-6,8-dione
CID 166098715

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of 5-(4-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-propan-2-ylimidazolidine-2,4-dione (CID 167944080) is 5-(4-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-(4-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-propan-2-ylimidazolidine-2,4-dione is CC(C)N1C(=O)N(c2cncc(F)c2)C(=O)C1c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is VALYGGKTCSEZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFN3O2/c1-10(2)21-15(11-3-5-12(18)6-4-11)16(23)22(17(21)24)14-7-13(19)8-20-9-14/h3-10,15H,1-2H3.
What are the key properties of 5-(4-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-propan-2-ylimidazolidine-2,4-dione?
5-(4-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 392.23 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 167944080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).