acetic acid;1,3-dibutyl-2H-imidazole

C13H26N2O2 — CID 174955065

IUPACacetic acid;1,3-dibutyl-2H-imidazole
SMILESCC(=O)O.CCCCN1C=CN(CCCC)C1
InChIInChI=1S/C11H22N2.C2H4O2/c1-3-5-7-12-9-10-13(11-12)8-6-4-2;1-2(3)4/h9-10H,3-8,11H2,1-2H3;1H3,(H,3,4)
InChIKeyOOBSTPWVPWNFPC-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.72
Rot. Bonds6

About acetic acid;1,3-dibutyl-2H-imidazole

acetic acid;1,3-dibutyl-2H-imidazole (PubChem CID 174955065) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is acetic acid;1,3-dibutyl-2H-imidazole.

Molecular Properties

Compound Nameacetic acid;1,3-dibutyl-2H-imidazole
PubChem CID174955065
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nameacetic acid;1,3-dibutyl-2H-imidazole
SMILESCC(=O)O.CCCCN1C=CN(CCCC)C1
InChIInChI=1S/C11H22N2.C2H4O2/c1-3-5-7-12-9-10-13(11-12)8-6-4-2;1-2(3)4/h9-10H,3-8,11H2,1-2H3;1H3,(H,3,4)
InChIKeyOOBSTPWVPWNFPC-UHFFFAOYSA-N
XLogP2.72
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;1-butyl-3-ethyl-2H-imidazole
CID 175549883
1,3-dibutyl-2H-imidazole;hydrobromide
CID 170561230
1-pentadecyl-3-tridecyl-2H-imidazole
CID 69396629
1-hexadecyl-3-octadecyl-2H-imidazole
CID 68970156
1-octyl-3-undecyl-2H-imidazole
CID 69389433
1-hexyl-3-nonadecyl-2H-imidazole
CID 69396204
1-heptyl-3-nonyl-2H-imidazole
CID 69393199
1-nonyl-3-undecyl-2H-imidazole
CID 69391482
1-dodecyl-3-octadecyl-2H-imidazole
CID 68899578
1,3-di(nonyl)-2H-imidazole
CID 69395396
1-hexyl-3-octadecyl-2H-imidazole
CID 68966514
1-butyl-3-methyl-2H-imidazole;tetrakis(carbonofluoridic acid)
CID 175410531

Frequently Asked Questions

What is the IUPAC name of acetic acid;1,3-dibutyl-2H-imidazole?
The IUPAC name of acetic acid;1,3-dibutyl-2H-imidazole (CID 174955065) is acetic acid;1,3-dibutyl-2H-imidazole.
What is the SMILES notation for acetic acid;1,3-dibutyl-2H-imidazole?
The canonical SMILES for acetic acid;1,3-dibutyl-2H-imidazole is CC(=O)O.CCCCN1C=CN(CCCC)C1.
What is the InChIKey of acetic acid;1,3-dibutyl-2H-imidazole?
The InChIKey is OOBSTPWVPWNFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.C2H4O2/c1-3-5-7-12-9-10-13(11-12)8-6-4-2;1-2(3)4/h9-10H,3-8,11H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;1,3-dibutyl-2H-imidazole?
acetic acid;1,3-dibutyl-2H-imidazole has a molecular weight of 242.36 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1,3-dibutyl-2H-imidazole is sourced from PubChem (CID 174955065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).