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

C10H18N2O2 — CID 66586254

IUPAC(1-butyl-3-methyl-2H-imidazol-2-yl) acetate
SMILESCCCCN1C=CN(C)C1OC(C)=O
InChIInChI=1S/C10H18N2O2/c1-4-5-6-12-8-7-11(3)10(12)14-9(2)13/h7-8,10H,4-6H2,1-3H3
InChIKeyCQNKALUGMKTOBV-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.35
Rot. Bonds4

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

(1-butyl-3-methyl-2H-imidazol-2-yl) acetate (PubChem CID 66586254) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (1-butyl-3-methyl-2H-imidazol-2-yl) acetate.

Molecular Properties

Compound Name(1-butyl-3-methyl-2H-imidazol-2-yl) acetate
PubChem CID66586254
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(1-butyl-3-methyl-2H-imidazol-2-yl) acetate
SMILESCCCCN1C=CN(C)C1OC(C)=O
InChIInChI=1S/C10H18N2O2/c1-4-5-6-12-8-7-11(3)10(12)14-9(2)13/h7-8,10H,4-6H2,1-3H3
InChIKeyCQNKALUGMKTOBV-UHFFFAOYSA-N
XLogP1.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-butyl-3-methyl-2H-imidazol-2-yl) acetate?
The IUPAC name of (1-butyl-3-methyl-2H-imidazol-2-yl) acetate (CID 66586254) is (1-butyl-3-methyl-2H-imidazol-2-yl) acetate.
What is the SMILES notation for (1-butyl-3-methyl-2H-imidazol-2-yl) acetate?
The canonical SMILES for (1-butyl-3-methyl-2H-imidazol-2-yl) acetate is CCCCN1C=CN(C)C1OC(C)=O.
What is the InChIKey of (1-butyl-3-methyl-2H-imidazol-2-yl) acetate?
The InChIKey is CQNKALUGMKTOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-5-6-12-8-7-11(3)10(12)14-9(2)13/h7-8,10H,4-6H2,1-3H3.
What are the key properties of (1-butyl-3-methyl-2H-imidazol-2-yl) acetate?
(1-butyl-3-methyl-2H-imidazol-2-yl) acetate has a molecular weight of 198.27 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyl-3-methyl-2H-imidazol-2-yl) acetate is sourced from PubChem (CID 66586254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).