[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium

C14H19BrN3O3+ — CID 9001573

IUPAC[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium
SMILESCOc1ccc([C@H](C)[NH2+]CC(=O)N2CCNC2=O)cc1Br
InChIInChI=1S/C14H18BrN3O3/c1-9(10-3-4-12(21-2)11(15)7-10)17-8-13(19)18-6-5-16-14(18)20/h3-4,7,9,17H,5-6,8H2,1-2H3,(H,16,20)/p+1/t9-/m0/s1
InChIKeyZMPWEAQXRYFAHB-VIFPVBQESA-O
MW357.23 g/mol
LogP0.63
Rot. Bonds5

About [(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium

[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium (PubChem CID 9001573) has the molecular formula C14H19BrN3O3+ and a molecular weight of 357.23 g/mol. Its IUPAC name is [(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium
PubChem CID9001573
Molecular FormulaC14H19BrN3O3+
Molecular Weight357.23 g/mol
Exact Mass356.06
IUPAC Name[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium
SMILESCOc1ccc([C@H](C)[NH2+]CC(=O)N2CCNC2=O)cc1Br
InChIInChI=1S/C14H18BrN3O3/c1-9(10-3-4-12(21-2)11(15)7-10)17-8-13(19)18-6-5-16-14(18)20/h3-4,7,9,17H,5-6,8H2,1-2H3,(H,16,20)/p+1/t9-/m0/s1
InChIKeyZMPWEAQXRYFAHB-VIFPVBQESA-O
XLogP0.63
TPSA75.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium with MolForge

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Related Compounds

1-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]acetyl]imidazolidin-2-one
CID 9001576
[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]azanium
CID 9001563
[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]azanium
CID 9001565
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium
CID 9369442
[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 9001081
[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9001171
[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-(3,4-dimethylanilino)-2-oxoethyl]azanium
CID 9001005
[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium
CID 9001761
[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-(4-ethylanilino)-2-oxoethyl]azanium
CID 9000991
[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-(2,5-difluoroanilino)-2-oxoethyl]azanium
CID 9001304
[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]azanium
CID 9001450
[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-(2,4-dimethylanilino)-2-oxoethyl]azanium
CID 9001137

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium?
The IUPAC name of [(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium (CID 9001573) is [(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium.
What is the SMILES notation for [(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium?
The canonical SMILES for [(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium is COc1ccc([C@H](C)[NH2+]CC(=O)N2CCNC2=O)cc1Br.
What is the InChIKey of [(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium?
The InChIKey is ZMPWEAQXRYFAHB-VIFPVBQESA-O. The full InChI is InChI=1S/C14H18BrN3O3/c1-9(10-3-4-12(21-2)11(15)7-10)17-8-13(19)18-6-5-16-14(18)20/h3-4,7,9,17H,5-6,8H2,1-2H3,(H,16,20)/p+1/t9-/m0/s1.
What are the key properties of [(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium?
[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium has a molecular weight of 357.23 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium is sourced from PubChem (CID 9001573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).