1-[2-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]ethyl]imidazolidin-2-one

C15H20BrN3O2 — CID 43277658

IUPAC1-[2-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCOc1ccc(Br)cc1CNC1CC1
InChIInChI=1S/C15H20BrN3O2/c16-12-1-4-14(11(9-12)10-18-13-2-3-13)21-8-7-19-6-5-17-15(19)20/h1,4,9,13,18H,2-3,5-8,10H2,(H,17,20)
InChIKeyJKMKMPIJUPJAMK-UHFFFAOYSA-N
MW354.25 g/mol
LogP2.11
Rot. Bonds7

About 1-[2-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]ethyl]imidazolidin-2-one

1-[2-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]ethyl]imidazolidin-2-one (PubChem CID 43277658) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 1-[2-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]ethyl]imidazolidin-2-one
PubChem CID43277658
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name1-[2-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCOc1ccc(Br)cc1CNC1CC1
InChIInChI=1S/C15H20BrN3O2/c16-12-1-4-14(11(9-12)10-18-13-2-3-13)21-8-7-19-6-5-17-15(19)20/h1,4,9,13,18H,2-3,5-8,10H2,(H,17,20)
InChIKeyJKMKMPIJUPJAMK-UHFFFAOYSA-N
XLogP2.11
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[4-bromo-2-(hydroxymethyl)phenoxy]ethyl]imidazolidin-2-one
CID 28981461
N-[[5-bromo-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine
CID 60883681
5-bromo-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonamide
CID 62103329
N-[[5-bromo-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646884
1-[2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]ethyl]imidazolidin-2-one
CID 43278045
2-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]acetonitrile
CID 60883120
1-[2-[2-(ethylaminomethyl)-4-fluorophenoxy]ethyl]imidazolidin-2-one
CID 107695464
N-[[5-bromo-2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]cyclopropanamine
CID 103408983
N-[[5-bromo-2-(2-butoxyethoxy)phenyl]methyl]cyclopropanamine
CID 61482948
2-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 43277676
4-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]-N-methylbutanamide
CID 63890091
1-[2-[2-(hydroxymethyl)-4-methylphenoxy]ethyl]imidazolidin-2-one
CID 63325459

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]ethyl]imidazolidin-2-one (CID 43277658) is 1-[2-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]ethyl]imidazolidin-2-one is O=C1NCCN1CCOc1ccc(Br)cc1CNC1CC1.
What is the InChIKey of 1-[2-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]ethyl]imidazolidin-2-one?
The InChIKey is JKMKMPIJUPJAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c16-12-1-4-14(11(9-12)10-18-13-2-3-13)21-8-7-19-6-5-17-15(19)20/h1,4,9,13,18H,2-3,5-8,10H2,(H,17,20).
What are the key properties of 1-[2-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]ethyl]imidazolidin-2-one?
1-[2-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]ethyl]imidazolidin-2-one has a molecular weight of 354.25 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]ethyl]imidazolidin-2-one is sourced from PubChem (CID 43277658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).