methyl 2-[2-(4-methylphenyl)imidazol-1-yl]acetate

C13H14N2O2 — CID 82561175

IUPACmethyl 2-[2-(4-methylphenyl)imidazol-1-yl]acetate
SMILESCOC(=O)Cn1ccnc1-c1ccc(C)cc1
InChIInChI=1S/C13H14N2O2/c1-10-3-5-11(6-4-10)13-14-7-8-15(13)9-12(16)17-2/h3-8H,9H2,1-2H3
InChIKeyWGMMKIOZFBUQIZ-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.03
Rot. Bonds3

About methyl 2-[2-(4-methylphenyl)imidazol-1-yl]acetate

methyl 2-[2-(4-methylphenyl)imidazol-1-yl]acetate (PubChem CID 82561175) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is methyl 2-[2-(4-methylphenyl)imidazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(4-methylphenyl)imidazol-1-yl]acetate
PubChem CID82561175
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Namemethyl 2-[2-(4-methylphenyl)imidazol-1-yl]acetate
SMILESCOC(=O)Cn1ccnc1-c1ccc(C)cc1
InChIInChI=1S/C13H14N2O2/c1-10-3-5-11(6-4-10)13-14-7-8-15(13)9-12(16)17-2/h3-8H,9H2,1-2H3
InChIKeyWGMMKIOZFBUQIZ-UHFFFAOYSA-N
XLogP2.03
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-methylphenyl)imidazol-1-yl]acetate?
The IUPAC name of methyl 2-[2-(4-methylphenyl)imidazol-1-yl]acetate (CID 82561175) is methyl 2-[2-(4-methylphenyl)imidazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-(4-methylphenyl)imidazol-1-yl]acetate?
The canonical SMILES for methyl 2-[2-(4-methylphenyl)imidazol-1-yl]acetate is COC(=O)Cn1ccnc1-c1ccc(C)cc1.
What is the InChIKey of methyl 2-[2-(4-methylphenyl)imidazol-1-yl]acetate?
The InChIKey is WGMMKIOZFBUQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-10-3-5-11(6-4-10)13-14-7-8-15(13)9-12(16)17-2/h3-8H,9H2,1-2H3.
What are the key properties of methyl 2-[2-(4-methylphenyl)imidazol-1-yl]acetate?
methyl 2-[2-(4-methylphenyl)imidazol-1-yl]acetate has a molecular weight of 230.27 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-methylphenyl)imidazol-1-yl]acetate is sourced from PubChem (CID 82561175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).