2-[4-(3-bromophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanenitrile

C13H14BrN3O — CID 116980438

IUPAC2-[4-(3-bromophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanenitrile
SMILESCC(C)(C#N)N1CC(c2cccc(Br)c2)NC1=O
InChIInChI=1S/C13H14BrN3O/c1-13(2,8-15)17-7-11(16-12(17)18)9-4-3-5-10(14)6-9/h3-6,11H,7H2,1-2H3,(H,16,18)
InChIKeyFOCUDPAMEWUNMK-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.82
Rot. Bonds2

About 2-[4-(3-bromophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanenitrile

2-[4-(3-bromophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanenitrile (PubChem CID 116980438) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 2-[4-(3-bromophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-(3-bromophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanenitrile
PubChem CID116980438
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name2-[4-(3-bromophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanenitrile
SMILESCC(C)(C#N)N1CC(c2cccc(Br)c2)NC1=O
InChIInChI=1S/C13H14BrN3O/c1-13(2,8-15)17-7-11(16-12(17)18)9-4-3-5-10(14)6-9/h3-6,11H,7H2,1-2H3,(H,16,18)
InChIKeyFOCUDPAMEWUNMK-UHFFFAOYSA-N
XLogP2.82
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]-2-methylpropanenitrile
CID 116980430
2-methyl-2-[4-(3-methylthiophen-2-yl)-2-oxoimidazolidin-1-yl]propanenitrile
CID 116980454
6-(3-bromophenyl)piperidine-2,4-dione
CID 83825931
2-(3-bromophenyl)-4-methylazetidine
CID 116822056
methyl 2-methyl-2-(2-oxo-4-phenylimidazolidin-1-yl)propanoate
CID 116980390
1-(1-amino-2-methylpropan-2-yl)-4-(5-bromo-2-methylphenyl)imidazolidin-2-one
CID 116978465
1-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 90179148
2-(3-bromophenyl)pyrrolidin-3-one
CID 83843081
5-(3-bromophenyl)pyrazolidine-3-carboxylic acid
CID 53404881
2-(3-bromophenyl)-7,8-dimethyl-1,2,3,5-tetrahydro-1-benzazepin-4-one
CID 161001932
3-(3-bromophenyl)-6-methyl-1,4-thiazepane 1,1-dioxide
CID 66227087
methyl (2R,5S)-5-(3-bromophenyl)pyrrolidine-2-carboxylate
CID 166640242

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-bromophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-(3-bromophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanenitrile (CID 116980438) is 2-[4-(3-bromophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-(3-bromophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-(3-bromophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanenitrile is CC(C)(C#N)N1CC(c2cccc(Br)c2)NC1=O.
What is the InChIKey of 2-[4-(3-bromophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanenitrile?
The InChIKey is FOCUDPAMEWUNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-13(2,8-15)17-7-11(16-12(17)18)9-4-3-5-10(14)6-9/h3-6,11H,7H2,1-2H3,(H,16,18).
What are the key properties of 2-[4-(3-bromophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanenitrile?
2-[4-(3-bromophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanenitrile has a molecular weight of 308.18 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-bromophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanenitrile is sourced from PubChem (CID 116980438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).