1-(3-bromophenyl)-3-[2-(dimethylamino)ethyl]imidazolidin-2-one;hydrochloride

C13H19BrClN3O — CID 163674415

IUPAC1-(3-bromophenyl)-3-[2-(dimethylamino)ethyl]imidazolidin-2-one;hydrochloride
SMILESCN(C)CCN1CCN(c2cccc(Br)c2)C1=O.Cl
InChIInChI=1S/C13H18BrN3O.ClH/c1-15(2)6-7-16-8-9-17(13(16)18)12-5-3-4-11(14)10-12;/h3-5,10H,6-9H2,1-2H3;1H
InChIKeyJFJZFMVQUQBEJS-UHFFFAOYSA-N
MW348.67 g/mol
LogP2.67
Rot. Bonds4

About 1-(3-bromophenyl)-3-[2-(dimethylamino)ethyl]imidazolidin-2-one;hydrochloride

1-(3-bromophenyl)-3-[2-(dimethylamino)ethyl]imidazolidin-2-one;hydrochloride (PubChem CID 163674415) has the molecular formula C13H19BrClN3O and a molecular weight of 348.67 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-[2-(dimethylamino)ethyl]imidazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-[2-(dimethylamino)ethyl]imidazolidin-2-one;hydrochloride
PubChem CID163674415
Molecular FormulaC13H19BrClN3O
Molecular Weight348.67 g/mol
Exact Mass347.04
IUPAC Name1-(3-bromophenyl)-3-[2-(dimethylamino)ethyl]imidazolidin-2-one;hydrochloride
SMILESCN(C)CCN1CCN(c2cccc(Br)c2)C1=O.Cl
InChIInChI=1S/C13H18BrN3O.ClH/c1-15(2)6-7-16-8-9-17(13(16)18)12-5-3-4-11(14)10-12;/h3-5,10H,6-9H2,1-2H3;1H
InChIKeyJFJZFMVQUQBEJS-UHFFFAOYSA-N
XLogP2.67
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.67
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-[2-(dimethylamino)ethyl]imidazolidin-2-one;hydrochloride?
The IUPAC name of 1-(3-bromophenyl)-3-[2-(dimethylamino)ethyl]imidazolidin-2-one;hydrochloride (CID 163674415) is 1-(3-bromophenyl)-3-[2-(dimethylamino)ethyl]imidazolidin-2-one;hydrochloride.
What is the SMILES notation for 1-(3-bromophenyl)-3-[2-(dimethylamino)ethyl]imidazolidin-2-one;hydrochloride?
The canonical SMILES for 1-(3-bromophenyl)-3-[2-(dimethylamino)ethyl]imidazolidin-2-one;hydrochloride is CN(C)CCN1CCN(c2cccc(Br)c2)C1=O.Cl.
What is the InChIKey of 1-(3-bromophenyl)-3-[2-(dimethylamino)ethyl]imidazolidin-2-one;hydrochloride?
The InChIKey is JFJZFMVQUQBEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O.ClH/c1-15(2)6-7-16-8-9-17(13(16)18)12-5-3-4-11(14)10-12;/h3-5,10H,6-9H2,1-2H3;1H.
What are the key properties of 1-(3-bromophenyl)-3-[2-(dimethylamino)ethyl]imidazolidin-2-one;hydrochloride?
1-(3-bromophenyl)-3-[2-(dimethylamino)ethyl]imidazolidin-2-one;hydrochloride has a molecular weight of 348.67 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-[2-(dimethylamino)ethyl]imidazolidin-2-one;hydrochloride is sourced from PubChem (CID 163674415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).