ethyl (2R)-2-[5-(hydroxymethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]sulfanylpropanoate

C18H24N2O4S — CID 7112669

IUPACethyl (2R)-2-[5-(hydroxymethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]sulfanylpropanoate
SMILESCCOC(=O)[C@@H](C)Sc1ncc(CO)n1CCc1ccc(OC)cc1
InChIInChI=1S/C18H24N2O4S/c1-4-24-17(22)13(2)25-18-19-11-15(12-21)20(18)10-9-14-5-7-16(23-3)8-6-14/h5-8,11,13,21H,4,9-10,12H2,1-3H3/t13-/m1/s1
InChIKeyRDWGIVAONJCBLB-CYBMUJFWSA-N
MW364.47 g/mol
LogP2.67
Rot. Bonds9

About ethyl (2R)-2-[5-(hydroxymethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]sulfanylpropanoate

ethyl (2R)-2-[5-(hydroxymethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]sulfanylpropanoate (PubChem CID 7112669) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is ethyl (2R)-2-[5-(hydroxymethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]sulfanylpropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[5-(hydroxymethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]sulfanylpropanoate
PubChem CID7112669
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Nameethyl (2R)-2-[5-(hydroxymethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]sulfanylpropanoate
SMILESCCOC(=O)[C@@H](C)Sc1ncc(CO)n1CCc1ccc(OC)cc1
InChIInChI=1S/C18H24N2O4S/c1-4-24-17(22)13(2)25-18-19-11-15(12-21)20(18)10-9-14-5-7-16(23-3)8-6-14/h5-8,11,13,21H,4,9-10,12H2,1-3H3/t13-/m1/s1
InChIKeyRDWGIVAONJCBLB-CYBMUJFWSA-N
XLogP2.67
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl (2R)-2-[5-(hydroxymethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]sulfanylpropanoate with MolForge

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Related Compounds

N,N-diethyl-2-[5-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 22576409
methyl (2S)-2-[[5-(4-methoxyphenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate
CID 7634291
ethyl 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanoate
CID 60600653
methyl 2-[5-(hydroxymethyl)-1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylpropanoate
CID 42795367
ethyl (2R)-2-[[5-oxo-4-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate
CID 94777033
N-(4-ethoxyphenyl)-2-[5-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 22576394
2-[5-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 22576392
[2-[(4-chlorophenyl)methylsulfanyl]-3-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol
CID 22576438
ethyl 2-hydroxy-5-(4-methoxyphenyl)-3-methylpentanoate
CID 66289830
N-[[3-[2-(4-methoxyphenyl)ethyl]-2-methylimidazol-4-yl]methyl]propan-2-amine
CID 65443435
2-[5-ethyl-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetic acid
CID 81345577
ethyl 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate
CID 3178042

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[5-(hydroxymethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]sulfanylpropanoate?
The IUPAC name of ethyl (2R)-2-[5-(hydroxymethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]sulfanylpropanoate (CID 7112669) is ethyl (2R)-2-[5-(hydroxymethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]sulfanylpropanoate.
What is the SMILES notation for ethyl (2R)-2-[5-(hydroxymethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]sulfanylpropanoate?
The canonical SMILES for ethyl (2R)-2-[5-(hydroxymethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]sulfanylpropanoate is CCOC(=O)[C@@H](C)Sc1ncc(CO)n1CCc1ccc(OC)cc1.
What is the InChIKey of ethyl (2R)-2-[5-(hydroxymethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]sulfanylpropanoate?
The InChIKey is RDWGIVAONJCBLB-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-4-24-17(22)13(2)25-18-19-11-15(12-21)20(18)10-9-14-5-7-16(23-3)8-6-14/h5-8,11,13,21H,4,9-10,12H2,1-3H3/t13-/m1/s1.
What are the key properties of ethyl (2R)-2-[5-(hydroxymethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]sulfanylpropanoate?
ethyl (2R)-2-[5-(hydroxymethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]sulfanylpropanoate has a molecular weight of 364.47 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[5-(hydroxymethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazol-2-yl]sulfanylpropanoate is sourced from PubChem (CID 7112669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).