1-[(3-bromophenyl)methyl]-3-pyridin-4-ylimidazolidine-2,4-dione

C15H12BrN3O2 — CID 99836269

IUPAC1-[(3-bromophenyl)methyl]-3-pyridin-4-ylimidazolidine-2,4-dione
SMILESO=C1CN(Cc2cccc(Br)c2)C(=O)N1c1ccncc1
InChIInChI=1S/C15H12BrN3O2/c16-12-3-1-2-11(8-12)9-18-10-14(20)19(15(18)21)13-4-6-17-7-5-13/h1-8H,9-10H2
InChIKeyVHXCKUDVFNEQMR-UHFFFAOYSA-N
MW346.18 g/mol
LogP2.81
Rot. Bonds3

About 1-[(3-bromophenyl)methyl]-3-pyridin-4-ylimidazolidine-2,4-dione

1-[(3-bromophenyl)methyl]-3-pyridin-4-ylimidazolidine-2,4-dione (PubChem CID 99836269) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-3-pyridin-4-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-3-pyridin-4-ylimidazolidine-2,4-dione
PubChem CID99836269
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC Name1-[(3-bromophenyl)methyl]-3-pyridin-4-ylimidazolidine-2,4-dione
SMILESO=C1CN(Cc2cccc(Br)c2)C(=O)N1c1ccncc1
InChIInChI=1S/C15H12BrN3O2/c16-12-3-1-2-11(8-12)9-18-10-14(20)19(15(18)21)13-4-6-17-7-5-13/h1-8H,9-10H2
InChIKeyVHXCKUDVFNEQMR-UHFFFAOYSA-N
XLogP2.81
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 52.81
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

1-benzyl-3-(4-methylphenyl)imidazolidine-2,4-dione
CID 164659301
1-[(3-bromophenyl)methyl]pyrrolidin-2-one
CID 61414137
1-[(2-chloro-4-pyridinyl)methyl]-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
CID 87457281
1-[(3-bromophenyl)methyl]azepane-2,7-dione
CID 60976376
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956
1-[(3-bromophenyl)methyl]pyrrole-2,5-dione
CID 60976377
1-[(3-bromophenyl)methyl]-2-oxopiperidine-4-carboxylic acid
CID 116837745
3-[[3-[(3-cyanophenyl)methyl]-2,4-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 141236514
3-[3-(aminomethyl)phenyl]-1-ethylimidazolidine-2,4-dione
CID 80578981
1-[(3-hydroxyphenyl)methyl]-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione
CID 59524358
1-[(3-bromophenyl)methyl]-2-oxopiperidine-4-carbonitrile
CID 116838048
3-[(3-bromophenyl)methyl]-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
CID 115064830

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-3-pyridin-4-ylimidazolidine-2,4-dione?
The IUPAC name of 1-[(3-bromophenyl)methyl]-3-pyridin-4-ylimidazolidine-2,4-dione (CID 99836269) is 1-[(3-bromophenyl)methyl]-3-pyridin-4-ylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-3-pyridin-4-ylimidazolidine-2,4-dione?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-3-pyridin-4-ylimidazolidine-2,4-dione is O=C1CN(Cc2cccc(Br)c2)C(=O)N1c1ccncc1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-3-pyridin-4-ylimidazolidine-2,4-dione?
The InChIKey is VHXCKUDVFNEQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c16-12-3-1-2-11(8-12)9-18-10-14(20)19(15(18)21)13-4-6-17-7-5-13/h1-8H,9-10H2.
What are the key properties of 1-[(3-bromophenyl)methyl]-3-pyridin-4-ylimidazolidine-2,4-dione?
1-[(3-bromophenyl)methyl]-3-pyridin-4-ylimidazolidine-2,4-dione has a molecular weight of 346.18 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-3-pyridin-4-ylimidazolidine-2,4-dione is sourced from PubChem (CID 99836269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).