1-imidazol-1-ylethyl acetate

C7H10N2O2 — CID 14596121

IUPAC1-imidazol-1-ylethyl acetate
SMILESCC(=O)OC(C)n1ccnc1
InChIInChI=1S/C7H10N2O2/c1-6(11-7(2)10)9-4-3-8-5-9/h3-6H,1-2H3
InChIKeyYTTRAVMWCVFCDY-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.96
Rot. Bonds2

About 1-imidazol-1-ylethyl acetate

1-imidazol-1-ylethyl acetate (PubChem CID 14596121) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 1-imidazol-1-ylethyl acetate.

Molecular Properties

Compound Name1-imidazol-1-ylethyl acetate
PubChem CID14596121
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name1-imidazol-1-ylethyl acetate
SMILESCC(=O)OC(C)n1ccnc1
InChIInChI=1S/C7H10N2O2/c1-6(11-7(2)10)9-4-3-8-5-9/h3-6H,1-2H3
InChIKeyYTTRAVMWCVFCDY-UHFFFAOYSA-N
XLogP0.96
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Imidazole-1-acetic acid
CID 656129
Ethyl 1H-imidazole-1-carboxylate
CID 87963
Ethyl 1H-imidazole-1-butanoate
CID 3055389
ethyl 3-(1H-imidazol-1-yl)propanoate
CID 11845203
(2-Methyl-imidazol-1-yl)-acetic acid
CID 650088
ethyl 2-(1H-imidazol-1-yl)acetate
CID 3798501
1-Ethyl-3-methylimidazolium acetate
CID 11658353
methyl N-(4-imidazol-1-ylbut-2-ynyl)-N-methylcarbamate
CID 15065563
1-(diethoxymethyl)-1H-imidazole
CID 3849535
Isopropyl 1H-imidazole-1-carboxylate
CID 537559
Methyl 1H-imidazole-1-carboxylate
CID 580911
ethyl 1-methyl-1H-imidazole-2-carboxylate
CID 4261883

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-ylethyl acetate?
The IUPAC name of 1-imidazol-1-ylethyl acetate (CID 14596121) is 1-imidazol-1-ylethyl acetate.
What is the SMILES notation for 1-imidazol-1-ylethyl acetate?
The canonical SMILES for 1-imidazol-1-ylethyl acetate is CC(=O)OC(C)n1ccnc1.
What is the InChIKey of 1-imidazol-1-ylethyl acetate?
The InChIKey is YTTRAVMWCVFCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-6(11-7(2)10)9-4-3-8-5-9/h3-6H,1-2H3.
What are the key properties of 1-imidazol-1-ylethyl acetate?
1-imidazol-1-ylethyl acetate has a molecular weight of 154.17 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-ylethyl acetate is sourced from PubChem (CID 14596121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).