methyl 3-(2-hydroxy-3-imidazolidin-1-ylpropoxy)benzoate

C14H20N2O4 — CID 118411220

IUPACmethyl 3-(2-hydroxy-3-imidazolidin-1-ylpropoxy)benzoate
SMILESCOC(=O)c1cccc(OCC(O)CN2CCNC2)c1
InChIInChI=1S/C14H20N2O4/c1-19-14(18)11-3-2-4-13(7-11)20-9-12(17)8-16-6-5-15-10-16/h2-4,7,12,15,17H,5-6,8-10H2,1H3
InChIKeyGRYQIQCYKGEYMY-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.08
Rot. Bonds6

About methyl 3-(2-hydroxy-3-imidazolidin-1-ylpropoxy)benzoate

methyl 3-(2-hydroxy-3-imidazolidin-1-ylpropoxy)benzoate (PubChem CID 118411220) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 3-(2-hydroxy-3-imidazolidin-1-ylpropoxy)benzoate.

Molecular Properties

Compound Namemethyl 3-(2-hydroxy-3-imidazolidin-1-ylpropoxy)benzoate
PubChem CID118411220
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl 3-(2-hydroxy-3-imidazolidin-1-ylpropoxy)benzoate
SMILESCOC(=O)c1cccc(OCC(O)CN2CCNC2)c1
InChIInChI=1S/C14H20N2O4/c1-19-14(18)11-3-2-4-13(7-11)20-9-12(17)8-16-6-5-15-10-16/h2-4,7,12,15,17H,5-6,8-10H2,1H3
InChIKeyGRYQIQCYKGEYMY-UHFFFAOYSA-N
XLogP0.08
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 3095128
ethyl 3-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]benzoate
CID 86977623
methyl 3-[(2S)-3-[(2R)-2-ethylpiperidin-1-yl]-2-hydroxypropoxy]benzoate
CID 7998324
ethyl 3-(2-hydroxy-3-morpholin-4-ylpropoxy)benzoate
CID 17393188
(2R)-1-(1,4-diazepan-1-yl)-3-(3-methylphenoxy)propan-2-ol
CID 95067056
methyl 4-[(2R)-2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]benzoate
CID 25332616
ethyl 3-[2-hydroxy-3-(3-methylpyrrolidin-1-yl)propoxy]benzoate
CID 86880419
methyl 3-(2-hydroxy-2-phenylethoxy)benzoate
CID 109414098
1-[4-[4-[3-(3-acetylphenoxy)-2-hydroxypropyl]piperazin-1-yl]phenyl]ethanone
CID 55346104
ethyl 3-[2-hydroxy-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propoxy]benzoate
CID 87014382
1-[3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone
CID 10738043
methyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]benzoate
CID 754353

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-hydroxy-3-imidazolidin-1-ylpropoxy)benzoate?
The IUPAC name of methyl 3-(2-hydroxy-3-imidazolidin-1-ylpropoxy)benzoate (CID 118411220) is methyl 3-(2-hydroxy-3-imidazolidin-1-ylpropoxy)benzoate.
What is the SMILES notation for methyl 3-(2-hydroxy-3-imidazolidin-1-ylpropoxy)benzoate?
The canonical SMILES for methyl 3-(2-hydroxy-3-imidazolidin-1-ylpropoxy)benzoate is COC(=O)c1cccc(OCC(O)CN2CCNC2)c1.
What is the InChIKey of methyl 3-(2-hydroxy-3-imidazolidin-1-ylpropoxy)benzoate?
The InChIKey is GRYQIQCYKGEYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-19-14(18)11-3-2-4-13(7-11)20-9-12(17)8-16-6-5-15-10-16/h2-4,7,12,15,17H,5-6,8-10H2,1H3.
What are the key properties of methyl 3-(2-hydroxy-3-imidazolidin-1-ylpropoxy)benzoate?
methyl 3-(2-hydroxy-3-imidazolidin-1-ylpropoxy)benzoate has a molecular weight of 280.32 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-hydroxy-3-imidazolidin-1-ylpropoxy)benzoate is sourced from PubChem (CID 118411220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).