methyl 2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]acetate

C13H14N2O3 — CID 116880251

IUPACmethyl 2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]acetate
SMILESCOC(=O)Cc1ncc(-c2ccc(OC)cc2)[nH]1
InChIInChI=1S/C13H14N2O3/c1-17-10-5-3-9(4-6-10)11-8-14-12(15-11)7-13(16)18-2/h3-6,8H,7H2,1-2H3,(H,14,15)
InChIKeyXSSSGCSIHHKABO-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.80
Rot. Bonds4

About methyl 2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]acetate

methyl 2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]acetate (PubChem CID 116880251) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]acetate
PubChem CID116880251
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Namemethyl 2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]acetate
SMILESCOC(=O)Cc1ncc(-c2ccc(OC)cc2)[nH]1
InChIInChI=1S/C13H14N2O3/c1-17-10-5-3-9(4-6-10)11-8-14-12(15-11)7-13(16)18-2/h3-6,8H,7H2,1-2H3,(H,14,15)
InChIKeyXSSSGCSIHHKABO-UHFFFAOYSA-N
XLogP1.80
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]acetate
CID 116880248
methyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate
CID 116880250
3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
CID 116878882
1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-N-methylmethanamine;dihydrochloride
CID 72716184
3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116878799
ethyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate
CID 11953523
methyl 3-(5-phenyl-1H-imidazol-2-yl)propanoate
CID 116880424
methyl 2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]acetate
CID 116880265
3-(2-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]prop-2-enamide
CID 91939363
2-(4-methoxyphenyl)sulfanyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide
CID 126808990
7-[5-(6-methoxynaphthalen-2-yl)-1H-imidazol-2-yl]heptanamide
CID 90149185
[5-(3-ethyl-4-methoxyphenyl)-1H-imidazol-2-yl]methanol
CID 116878283

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]acetate?
The IUPAC name of methyl 2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]acetate (CID 116880251) is methyl 2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]acetate?
The canonical SMILES for methyl 2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]acetate is COC(=O)Cc1ncc(-c2ccc(OC)cc2)[nH]1.
What is the InChIKey of methyl 2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]acetate?
The InChIKey is XSSSGCSIHHKABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-17-10-5-3-9(4-6-10)11-8-14-12(15-11)7-13(16)18-2/h3-6,8H,7H2,1-2H3,(H,14,15).
What are the key properties of methyl 2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]acetate?
methyl 2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]acetate has a molecular weight of 246.27 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]acetate is sourced from PubChem (CID 116880251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).