acetic acid;2,5-dihexyl-1H-imidazole

C17H32N2O2 — CID 175376233

IUPACacetic acid;2,5-dihexyl-1H-imidazole
SMILESCC(=O)O.CCCCCCc1cnc(CCCCCC)[nH]1
InChIInChI=1S/C15H28N2.C2H4O2/c1-3-5-7-9-11-14-13-16-15(17-14)12-10-8-6-4-2;1-2(3)4/h13H,3-12H2,1-2H3,(H,16,17);1H3,(H,3,4)
InChIKeyCLSREZBAINGUOZ-UHFFFAOYSA-N
MW296.45 g/mol
LogP4.75
Rot. Bonds10

About acetic acid;2,5-dihexyl-1H-imidazole

acetic acid;2,5-dihexyl-1H-imidazole (PubChem CID 175376233) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is acetic acid;2,5-dihexyl-1H-imidazole.

Molecular Properties

Compound Nameacetic acid;2,5-dihexyl-1H-imidazole
PubChem CID175376233
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nameacetic acid;2,5-dihexyl-1H-imidazole
SMILESCC(=O)O.CCCCCCc1cnc(CCCCCC)[nH]1
InChIInChI=1S/C15H28N2.C2H4O2/c1-3-5-7-9-11-14-13-16-15(17-14)12-10-8-6-4-2;1-2(3)4/h13H,3-12H2,1-2H3,(H,16,17);1H3,(H,3,4)
InChIKeyCLSREZBAINGUOZ-UHFFFAOYSA-N
XLogP4.75
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-heptadecyl-1H-imidazol-5-yl)ethanol
CID 10617878
2-butyl-5-tetradecyl-1H-imidazole;nitric acid
CID 158622630
3-(5-hexyl-1H-imidazol-2-yl)propan-1-amine
CID 175786027
2-(2-dodecyl-1H-imidazol-5-yl)ethanamine
CID 10731390
2-butyl-5-propyl-1H-imidazole
CID 68810469
2-pentyl-1H-imidazole-5-carboxamide
CID 68638912
2-ethyl-5-[(Z)-octadec-9-enyl]-1H-imidazole
CID 175074966
2-hexyl-5-methyl-1H-imidazole;sulfuric acid
CID 175268220
5-methyl-2-octyl-1H-imidazole;hydrate
CID 172776370
sodium 2-(5-dodecyl-1H-imidazol-2-yl)ethyl sulfate
CID 23670271
5-heptadecyl-1H-imidazol-2-amine
CID 25178085
2-methyl-5-octadecyl-1H-imidazole;hydrobromide
CID 174843690

Frequently Asked Questions

What is the IUPAC name of acetic acid;2,5-dihexyl-1H-imidazole?
The IUPAC name of acetic acid;2,5-dihexyl-1H-imidazole (CID 175376233) is acetic acid;2,5-dihexyl-1H-imidazole.
What is the SMILES notation for acetic acid;2,5-dihexyl-1H-imidazole?
The canonical SMILES for acetic acid;2,5-dihexyl-1H-imidazole is CC(=O)O.CCCCCCc1cnc(CCCCCC)[nH]1.
What is the InChIKey of acetic acid;2,5-dihexyl-1H-imidazole?
The InChIKey is CLSREZBAINGUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2.C2H4O2/c1-3-5-7-9-11-14-13-16-15(17-14)12-10-8-6-4-2;1-2(3)4/h13H,3-12H2,1-2H3,(H,16,17);1H3,(H,3,4).
What are the key properties of acetic acid;2,5-dihexyl-1H-imidazole?
acetic acid;2,5-dihexyl-1H-imidazole has a molecular weight of 296.45 g/mol, XLogP of 4.75, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2,5-dihexyl-1H-imidazole is sourced from PubChem (CID 175376233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).