1-imidazol-1-ylpropan-2-yl acetate

C8H12N2O2 — CID 58743668

IUPAC1-imidazol-1-ylpropan-2-yl acetate
SMILESCC(=O)OC(C)Cn1ccnc1
InChIInChI=1S/C8H12N2O2/c1-7(12-8(2)11)5-10-4-3-9-6-10/h3-4,6-7H,5H2,1-2H3
InChIKeyFLPYZMHSMSNLDS-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.83
Rot. Bonds3

About 1-imidazol-1-ylpropan-2-yl acetate

1-imidazol-1-ylpropan-2-yl acetate (PubChem CID 58743668) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-imidazol-1-ylpropan-2-yl acetate.

Molecular Properties

Compound Name1-imidazol-1-ylpropan-2-yl acetate
PubChem CID58743668
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1-imidazol-1-ylpropan-2-yl acetate
SMILESCC(=O)OC(C)Cn1ccnc1
InChIInChI=1S/C8H12N2O2/c1-7(12-8(2)11)5-10-4-3-9-6-10/h3-4,6-7H,5H2,1-2H3
InChIKeyFLPYZMHSMSNLDS-UHFFFAOYSA-N
XLogP0.83
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-imidazol-1-ylpropan-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

1-Ethyl-3-methylimidazolium acetate
CID 11658353
alpha-methyl-1H-imidazole-1-ethanol
CID 109233
Ethyl 1H-imidazole-1-butanoate
CID 3055389
ethyl 3-(1H-imidazol-1-yl)propanoate
CID 11845203
ethyl 2-(1H-imidazol-1-yl)acetate
CID 3798501
Isopropyl 1H-imidazole-1-carboxylate
CID 537559
ethyl 1-methyl-1H-imidazole-2-carboxylate
CID 4261883
2-Imidazol-1-ylbutyl acetate
CID 44410441
Methyl 1H-imidazol-1-ylacetate
CID 557332
Imidazole-1-butyric acid, 2-methyl-, ethyl ester
CID 3066545
1-Ethyl-3-methylimidazolium L-(+)-lactate
CID 2734252
1-Butyl-3-methylimidazolium Trifluoroacetate
CID 10125280

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-ylpropan-2-yl acetate?
The IUPAC name of 1-imidazol-1-ylpropan-2-yl acetate (CID 58743668) is 1-imidazol-1-ylpropan-2-yl acetate.
What is the SMILES notation for 1-imidazol-1-ylpropan-2-yl acetate?
The canonical SMILES for 1-imidazol-1-ylpropan-2-yl acetate is CC(=O)OC(C)Cn1ccnc1.
What is the InChIKey of 1-imidazol-1-ylpropan-2-yl acetate?
The InChIKey is FLPYZMHSMSNLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-7(12-8(2)11)5-10-4-3-9-6-10/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 1-imidazol-1-ylpropan-2-yl acetate?
1-imidazol-1-ylpropan-2-yl acetate has a molecular weight of 168.20 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-ylpropan-2-yl acetate is sourced from PubChem (CID 58743668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).