(5R)-3-(2-bromoprop-2-enyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione

C12H12BrN3O2 — CID 95324169

IUPAC(5R)-3-(2-bromoprop-2-enyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
SMILESC=C(Br)CN1C(=O)N[C@](C)(c2ccccn2)C1=O
InChIInChI=1S/C12H12BrN3O2/c1-8(13)7-16-10(17)12(2,15-11(16)18)9-5-3-4-6-14-9/h3-6H,1,7H2,2H3,(H,15,18)/t12-/m1/s1
InChIKeyBJDNCDTYBSOLJZ-GFCCVEGCSA-N
MW310.15 g/mol
LogP1.76
Rot. Bonds3

About (5R)-3-(2-bromoprop-2-enyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione

(5R)-3-(2-bromoprop-2-enyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione (PubChem CID 95324169) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is (5R)-3-(2-bromoprop-2-enyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-(2-bromoprop-2-enyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
PubChem CID95324169
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name(5R)-3-(2-bromoprop-2-enyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
SMILESC=C(Br)CN1C(=O)N[C@](C)(c2ccccn2)C1=O
InChIInChI=1S/C12H12BrN3O2/c1-8(13)7-16-10(17)12(2,15-11(16)18)9-5-3-4-6-14-9/h3-6H,1,7H2,2H3,(H,15,18)/t12-/m1/s1
InChIKeyBJDNCDTYBSOLJZ-GFCCVEGCSA-N
XLogP1.76
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 95298044
3-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)propanoic acid
CID 82148086
2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 56506448
N-[4-(4-bromophenoxy)phenyl]-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide
CID 56506181
N-[(1S)-1-(furan-2-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]acetamide
CID 95322694
N-(2,5-dichlorophenyl)-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide
CID 56500870
N-(furan-2-ylmethylcarbamoyl)-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide
CID 56506442
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide
CID 56505008
N-(2-chloro-4-fluorophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]acetamide
CID 97021769
2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 56504885
3-[(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)methyl]benzoic acid
CID 82148005
(5S)-5-methyl-5-pyridin-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 52884048

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(2-bromoprop-2-enyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-(2-bromoprop-2-enyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione (CID 95324169) is (5R)-3-(2-bromoprop-2-enyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-(2-bromoprop-2-enyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-(2-bromoprop-2-enyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione is C=C(Br)CN1C(=O)N[C@](C)(c2ccccn2)C1=O.
What is the InChIKey of (5R)-3-(2-bromoprop-2-enyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione?
The InChIKey is BJDNCDTYBSOLJZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-8(13)7-16-10(17)12(2,15-11(16)18)9-5-3-4-6-14-9/h3-6H,1,7H2,2H3,(H,15,18)/t12-/m1/s1.
What are the key properties of (5R)-3-(2-bromoprop-2-enyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione?
(5R)-3-(2-bromoprop-2-enyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione has a molecular weight of 310.15 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(2-bromoprop-2-enyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 95324169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).