ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate

C8H14N2O2 — CID 67523462

IUPACethyl 2-(3-methyl-2H-imidazol-1-yl)acetate
SMILESCCOC(=O)CN1C=CN(C)C1
InChIInChI=1S/C8H14N2O2/c1-3-12-8(11)6-10-5-4-9(2)7-10/h4-5H,3,6-7H2,1-2H3
InChIKeyIRVZJEASLXDUDH-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.23
Rot. Bonds3

About ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate

ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate (PubChem CID 67523462) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-methyl-2H-imidazol-1-yl)acetate
PubChem CID67523462
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Nameethyl 2-(3-methyl-2H-imidazol-1-yl)acetate
SMILESCCOC(=O)CN1C=CN(C)C1
InChIInChI=1S/C8H14N2O2/c1-3-12-8(11)6-10-5-4-9(2)7-10/h4-5H,3,6-7H2,1-2H3
InChIKeyIRVZJEASLXDUDH-UHFFFAOYSA-N
XLogP0.23
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-(2-fluoro-3-methyl-2-sulfanylimidazol-1-yl)acetate
CID 175049783
Methyl 2-(3-vinylimidazolidin-1-yl)acetate
CID 129867099
Ethyl 2-fluoro-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetate
CID 81297361
Ethyl 2-(3-ethyl-2-oxoimidazol-1-yl)-2-fluoroacetate
CID 81298423
Ethyl 2-fluoro-2-(3-methyl-2-oxoimidazol-1-yl)acetate
CID 81298539
Ethyl 2-fluoro-2-(2-oxo-3-propylimidazol-1-yl)acetate
CID 81298672
methyl (3-methyl-2-thioxo-2,3-dihydro-1H-imidazol-1-yl)acetate
CID 16741815
ethyl 2-(3-methyl-2H-imidazol-1-yl)butanoate
CID 18624583
ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2H-imidazol-1-yl]acetate
CID 22220777
2-(2,3-dimethyl-2H-imidazol-1-yl)acetate
CID 57817160
2-[3-(2-Ethoxy-2-oxoethyl)-2-oxoimidazol-1-yl]acetic acid
CID 59571534
Ethyl 2-(3-ethyl-2-oxoimidazol-1-yl)acetate
CID 59571585

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate?
The IUPAC name of ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate (CID 67523462) is ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate?
The canonical SMILES for ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate is CCOC(=O)CN1C=CN(C)C1.
What is the InChIKey of ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate?
The InChIKey is IRVZJEASLXDUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-3-12-8(11)6-10-5-4-9(2)7-10/h4-5H,3,6-7H2,1-2H3.
What are the key properties of ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate?
ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate has a molecular weight of 170.21 g/mol, XLogP of 0.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate is sourced from PubChem (CID 67523462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).