(1,3-diethyl-2H-imidazol-2-yl) acetate

C9H16N2O2 — CID 66677928

IUPAC(1,3-diethyl-2H-imidazol-2-yl) acetate
SMILESCCN1C=CN(CC)C1OC(C)=O
InChIInChI=1S/C9H16N2O2/c1-4-10-6-7-11(5-2)9(10)13-8(3)12/h6-7,9H,4-5H2,1-3H3
InChIKeyCLTONLAVZKMGEL-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.96
Rot. Bonds3

About (1,3-diethyl-2H-imidazol-2-yl) acetate

(1,3-diethyl-2H-imidazol-2-yl) acetate (PubChem CID 66677928) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (1,3-diethyl-2H-imidazol-2-yl) acetate.

Molecular Properties

Compound Name(1,3-diethyl-2H-imidazol-2-yl) acetate
PubChem CID66677928
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(1,3-diethyl-2H-imidazol-2-yl) acetate
SMILESCCN1C=CN(CC)C1OC(C)=O
InChIInChI=1S/C9H16N2O2/c1-4-10-6-7-11(5-2)9(10)13-8(3)12/h6-7,9H,4-5H2,1-3H3
InChIKeyCLTONLAVZKMGEL-UHFFFAOYSA-N
XLogP0.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethyl-3-methyl-2H-imidazol-2-yl) acetate
CID 66647991
(1-ethyl-3-methyl-2H-imidazol-2-yl) 2,2,2-trifluoroacetate
CID 66664729
(1-butyl-3-ethyl-2H-imidazol-2-yl) 2,2,2-trifluoroacetate
CID 67523444
(1,3-diethyl-2H-imidazol-2-yl) 2,2,2-trifluoroacetate
CID 67633595
1-(3-methyl-2H-imidazol-1-yl)ethyl 2,2,2-trifluoroacetate
CID 174589917
(1-butyl-3-methyl-2H-imidazol-2-yl) acetate
CID 66586254
(1-butyl-3-methyl-2H-imidazol-2-yl) propanoate
CID 66664677
(1-butyl-3-methyl-2H-imidazol-2-yl) 2-methylpropanoate
CID 66664934
(1,3-dimethyl-2H-imidazol-2-yl) acetate
CID 66678689
(1-butyl-3-methyl-2H-imidazol-2-yl) butanoate
CID 66707081
(1-ethyl-3-methyl-2H-imidazol-2-yl) propanoate
CID 66707254
(1-ethyl-3-methyl-2H-imidazol-2-yl) butanoate
CID 66707576

Frequently Asked Questions

What is the IUPAC name of (1,3-diethyl-2H-imidazol-2-yl) acetate?
The IUPAC name of (1,3-diethyl-2H-imidazol-2-yl) acetate (CID 66677928) is (1,3-diethyl-2H-imidazol-2-yl) acetate.
What is the SMILES notation for (1,3-diethyl-2H-imidazol-2-yl) acetate?
The canonical SMILES for (1,3-diethyl-2H-imidazol-2-yl) acetate is CCN1C=CN(CC)C1OC(C)=O.
What is the InChIKey of (1,3-diethyl-2H-imidazol-2-yl) acetate?
The InChIKey is CLTONLAVZKMGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-10-6-7-11(5-2)9(10)13-8(3)12/h6-7,9H,4-5H2,1-3H3.
What are the key properties of (1,3-diethyl-2H-imidazol-2-yl) acetate?
(1,3-diethyl-2H-imidazol-2-yl) acetate has a molecular weight of 184.24 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diethyl-2H-imidazol-2-yl) acetate is sourced from PubChem (CID 66677928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).