1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-bromophenyl)imidazolidin-2-one

C16H20BrN3O — CID 10784029

IUPAC1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-bromophenyl)imidazolidin-2-one
SMILESO=C1N(c2cccc(Br)c2)CCN1C1CN2CCC1CC2
InChIInChI=1S/C16H20BrN3O/c17-13-2-1-3-14(10-13)19-8-9-20(16(19)21)15-11-18-6-4-12(15)5-7-18/h1-3,10,12,15H,4-9,11H2
InChIKeyVZMCDKPXCHQQLB-UHFFFAOYSA-N
MW350.26 g/mol
LogP2.79
Rot. Bonds2

About 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-bromophenyl)imidazolidin-2-one

1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-bromophenyl)imidazolidin-2-one (PubChem CID 10784029) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-bromophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-bromophenyl)imidazolidin-2-one
PubChem CID10784029
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-bromophenyl)imidazolidin-2-one
SMILESO=C1N(c2cccc(Br)c2)CCN1C1CN2CCC1CC2
InChIInChI=1S/C16H20BrN3O/c17-13-2-1-3-14(10-13)19-8-9-20(16(19)21)15-11-18-6-4-12(15)5-7-18/h1-3,10,12,15H,4-9,11H2
InChIKeyVZMCDKPXCHQQLB-UHFFFAOYSA-N
XLogP2.79
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-m-tolyl-imidazolidin-2-one
CID 10517268
1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-phenyl-imidazolidin-2-one
CID 10730827
N-(4-Bromophenyl)-4-[(pyrrolidin-1-YL)methyl]piperidine-1-carboxamide
CID 16020889
1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(4-bromophenyl)urea
CID 49780186
N-(3-bromophenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide
CID 16021104
N~2~-(3-bromophenyl)octahydro-2H-pyrido[1,2-a]pyrazine-2-carboxamide
CID 16022796
N-(2-Bromophenyl)-4-[(pyrrolidin-1-YL)methyl]piperidine-1-carboxamide
CID 16034754
1-(4-bromophenyl)-3-[[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]urea
CID 11943316
1-(4-bromophenyl)-3-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]urea
CID 11943101
1-(3-Bromophenyl)-3-(2-methylpropyl)-5-(trifluoromethyl)-3a,7a-dihydrobenzimidazol-2-one
CID 118325017
1-(3-Bromophenyl)-3-(2-methylpropyl)-5-(trifluoromethyl)-3a,4,7,7a-tetrahydrobenzimidazol-2-one
CID 150076467
N-(4-Bromophenyl)-4-[(piperidin-1-YL)methyl]piperidine-1-carboxamide
CID 20907449

Frequently Asked Questions

What is the IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-bromophenyl)imidazolidin-2-one?
The IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-bromophenyl)imidazolidin-2-one (CID 10784029) is 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-bromophenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-bromophenyl)imidazolidin-2-one?
The canonical SMILES for 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-bromophenyl)imidazolidin-2-one is O=C1N(c2cccc(Br)c2)CCN1C1CN2CCC1CC2.
What is the InChIKey of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-bromophenyl)imidazolidin-2-one?
The InChIKey is VZMCDKPXCHQQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c17-13-2-1-3-14(10-13)19-8-9-20(16(19)21)15-11-18-6-4-12(15)5-7-18/h1-3,10,12,15H,4-9,11H2.
What are the key properties of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-bromophenyl)imidazolidin-2-one?
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-bromophenyl)imidazolidin-2-one has a molecular weight of 350.26 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-bromophenyl)imidazolidin-2-one is sourced from PubChem (CID 10784029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).