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

C11H20N2O2 — CID 67523352

IUPACpentyl 2-(3-methyl-2H-imidazol-1-yl)acetate
SMILESCCCCCOC(=O)CN1C=CN(C)C1
InChIInChI=1S/C11H20N2O2/c1-3-4-5-8-15-11(14)9-13-7-6-12(2)10-13/h6-7H,3-5,8-10H2,1-2H3
InChIKeySKFZAMGDUWRGSI-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.40
Rot. Bonds6

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

pentyl 2-(3-methyl-2H-imidazol-1-yl)acetate (PubChem CID 67523352) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is pentyl 2-(3-methyl-2H-imidazol-1-yl)acetate.

Molecular Properties

Compound Namepentyl 2-(3-methyl-2H-imidazol-1-yl)acetate
PubChem CID67523352
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Namepentyl 2-(3-methyl-2H-imidazol-1-yl)acetate
SMILESCCCCCOC(=O)CN1C=CN(C)C1
InChIInChI=1S/C11H20N2O2/c1-3-4-5-8-15-11(14)9-13-7-6-12(2)10-13/h6-7H,3-5,8-10H2,1-2H3
InChIKeySKFZAMGDUWRGSI-UHFFFAOYSA-N
XLogP1.40
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pentyl 2-(3-methyl-2H-imidazol-1-yl)acetate?
The IUPAC name of pentyl 2-(3-methyl-2H-imidazol-1-yl)acetate (CID 67523352) is pentyl 2-(3-methyl-2H-imidazol-1-yl)acetate.
What is the SMILES notation for pentyl 2-(3-methyl-2H-imidazol-1-yl)acetate?
The canonical SMILES for pentyl 2-(3-methyl-2H-imidazol-1-yl)acetate is CCCCCOC(=O)CN1C=CN(C)C1.
What is the InChIKey of pentyl 2-(3-methyl-2H-imidazol-1-yl)acetate?
The InChIKey is SKFZAMGDUWRGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-4-5-8-15-11(14)9-13-7-6-12(2)10-13/h6-7H,3-5,8-10H2,1-2H3.
What are the key properties of pentyl 2-(3-methyl-2H-imidazol-1-yl)acetate?
pentyl 2-(3-methyl-2H-imidazol-1-yl)acetate has a molecular weight of 212.29 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 2-(3-methyl-2H-imidazol-1-yl)acetate is sourced from PubChem (CID 67523352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).