acetic acid;1-cyclopentyl-3-propyl-2H-imidazole

C13H24N2O2 — CID 174543955

IUPACacetic acid;1-cyclopentyl-3-propyl-2H-imidazole
SMILESCC(=O)O.CCCN1C=CN(C2CCCC2)C1
InChIInChI=1S/C11H20N2.C2H4O2/c1-2-7-12-8-9-13(10-12)11-5-3-4-6-11;1-2(3)4/h8-9,11H,2-7,10H2,1H3;1H3,(H,3,4)
InChIKeyJDZZLXLAXBDXKE-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.48
Rot. Bonds3

About acetic acid;1-cyclopentyl-3-propyl-2H-imidazole

acetic acid;1-cyclopentyl-3-propyl-2H-imidazole (PubChem CID 174543955) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is acetic acid;1-cyclopentyl-3-propyl-2H-imidazole.

Molecular Properties

Compound Nameacetic acid;1-cyclopentyl-3-propyl-2H-imidazole
PubChem CID174543955
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nameacetic acid;1-cyclopentyl-3-propyl-2H-imidazole
SMILESCC(=O)O.CCCN1C=CN(C2CCCC2)C1
InChIInChI=1S/C11H20N2.C2H4O2/c1-2-7-12-8-9-13(10-12)11-5-3-4-6-11;1-2(3)4/h8-9,11H,2-7,10H2,1H3;1H3,(H,3,4)
InChIKeyJDZZLXLAXBDXKE-UHFFFAOYSA-N
XLogP2.48
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-propyl-2H-imidazole
CID 174543956
1-cyclohexyl-3-octyl-2H-imidazole
CID 21260219
acetic acid;1,3-dibutyl-2H-imidazole
CID 174955065
acetic acid;1-butyl-3-ethyl-2H-imidazole
CID 175549883
1-pentyl-3-propyl-2H-imidazole;hydrochloride
CID 173025272
acetic acid;1-ethyl-3-methyl-2H-imidazole;hydrochloride
CID 172844057
1-methyl-3-propyl-2H-imidazole;hydroiodide
CID 67338438
1-hexyl-3-propyl-2H-imidazole;hydroiodide
CID 173007691
acetic acid;3-methyl-1-propylpyrrolidine
CID 175874786
3-hexyl-2H-imidazole-1-carboxylic acid
CID 67960373
1-butyl-3-methyl-2H-imidazole;tetrakis(carbonofluoridic acid)
CID 175410531
iodic acid;1-methyl-3-propyl-2H-imidazole
CID 159990491

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-cyclopentyl-3-propyl-2H-imidazole?
The IUPAC name of acetic acid;1-cyclopentyl-3-propyl-2H-imidazole (CID 174543955) is acetic acid;1-cyclopentyl-3-propyl-2H-imidazole.
What is the SMILES notation for acetic acid;1-cyclopentyl-3-propyl-2H-imidazole?
The canonical SMILES for acetic acid;1-cyclopentyl-3-propyl-2H-imidazole is CC(=O)O.CCCN1C=CN(C2CCCC2)C1.
What is the InChIKey of acetic acid;1-cyclopentyl-3-propyl-2H-imidazole?
The InChIKey is JDZZLXLAXBDXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2.C2H4O2/c1-2-7-12-8-9-13(10-12)11-5-3-4-6-11;1-2(3)4/h8-9,11H,2-7,10H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-cyclopentyl-3-propyl-2H-imidazole?
acetic acid;1-cyclopentyl-3-propyl-2H-imidazole has a molecular weight of 240.35 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-cyclopentyl-3-propyl-2H-imidazole is sourced from PubChem (CID 174543955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).