methyl 2-(2,3-dimethylimidazol-4-yl)acetate

C8H12N2O2 — CID 146238760

IUPACmethyl 2-(2,3-dimethylimidazol-4-yl)acetate
SMILESCOC(=O)Cc1cnc(C)n1C
InChIInChI=1S/C8H12N2O2/c1-6-9-5-7(10(6)2)4-8(11)12-3/h5H,4H2,1-3H3
InChIKeyUAOCZZVUMNQBMV-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.44
Rot. Bonds2

About methyl 2-(2,3-dimethylimidazol-4-yl)acetate

methyl 2-(2,3-dimethylimidazol-4-yl)acetate (PubChem CID 146238760) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is methyl 2-(2,3-dimethylimidazol-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2,3-dimethylimidazol-4-yl)acetate
PubChem CID146238760
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Namemethyl 2-(2,3-dimethylimidazol-4-yl)acetate
SMILESCOC(=O)Cc1cnc(C)n1C
InChIInChI=1S/C8H12N2O2/c1-6-9-5-7(10(6)2)4-8(11)12-3/h5H,4H2,1-3H3
InChIKeyUAOCZZVUMNQBMV-UHFFFAOYSA-N
XLogP0.44
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-amino-3-[(2,3-dimethylimidazol-4-yl)methylamino]benzoate
CID 170938282
methyl 2-(1-methyl-5-nitroimidazol-2-yl)acetate
CID 10488211
2-[(2,3-dimethylimidazol-4-yl)methoxy]phenol
CID 117192761
methyl 2-[5-(2-chloroacetyl)-1-methylpyrrol-2-yl]acetate
CID 26369220
methyl 2-(5-hydroxy-2-methyl-3-pyridinyl)acetate
CID 131095817
3-(2,3-dimethylimidazol-4-yl)propan-1-amine
CID 82416793
4-[5-(2-methoxy-2-oxoethyl)triazol-1-yl]butanoic acid
CID 82222525
methyl 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetate
CID 66342694
methyl 4-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)butanoate
CID 66308577
2-(3-ethyl-2-methylimidazol-4-yl)acetic acid
CID 55254160
methyl 2-(1-methylpyrazol-3-yl)acetate
CID 13269736
methyl 2-(3-methylimidazo[4,5-c]pyridin-2-yl)acetate
CID 114793213

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dimethylimidazol-4-yl)acetate?
The IUPAC name of methyl 2-(2,3-dimethylimidazol-4-yl)acetate (CID 146238760) is methyl 2-(2,3-dimethylimidazol-4-yl)acetate.
What is the SMILES notation for methyl 2-(2,3-dimethylimidazol-4-yl)acetate?
The canonical SMILES for methyl 2-(2,3-dimethylimidazol-4-yl)acetate is COC(=O)Cc1cnc(C)n1C.
What is the InChIKey of methyl 2-(2,3-dimethylimidazol-4-yl)acetate?
The InChIKey is UAOCZZVUMNQBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6-9-5-7(10(6)2)4-8(11)12-3/h5H,4H2,1-3H3.
What are the key properties of methyl 2-(2,3-dimethylimidazol-4-yl)acetate?
methyl 2-(2,3-dimethylimidazol-4-yl)acetate has a molecular weight of 168.20 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-dimethylimidazol-4-yl)acetate is sourced from PubChem (CID 146238760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).