1-hexyl-3-methyl-2H-imidazole acetate

C12H23N2O2- — CID 162278554

IUPAC1-hexyl-3-methyl-2H-imidazole acetate
SMILESCC(=O)[O-].CCCCCCN1C=CN(C)C1
InChIInChI=1S/C10H20N2.C2H4O2/c1-3-4-5-6-7-12-9-8-11(2)10-12;1-2(3)4/h8-9H,3-7,10H2,1-2H3;1H3,(H,3,4)/p-1
InChIKeyUCORDLUWXAPELE-UHFFFAOYSA-M
MW227.33 g/mol
LogP1.00
Rot. Bonds5

About 1-hexyl-3-methyl-2H-imidazole acetate

1-hexyl-3-methyl-2H-imidazole acetate (PubChem CID 162278554) has the molecular formula C12H23N2O2- and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-hexyl-3-methyl-2H-imidazole acetate.

Molecular Properties

Compound Name1-hexyl-3-methyl-2H-imidazole acetate
PubChem CID162278554
Molecular FormulaC12H23N2O2-
Molecular Weight227.33 g/mol
Exact Mass227.18
IUPAC Name1-hexyl-3-methyl-2H-imidazole acetate
SMILESCC(=O)[O-].CCCCCCN1C=CN(C)C1
InChIInChI=1S/C10H20N2.C2H4O2/c1-3-4-5-6-7-12-9-8-11(2)10-12;1-2(3)4/h8-9H,3-7,10H2,1-2H3;1H3,(H,3,4)/p-1
InChIKeyUCORDLUWXAPELE-UHFFFAOYSA-M
XLogP1.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.00
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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Related Compounds

1-hexyl-3-methyl-2H-imidazole
CID 18513318
1-methyl-3-nonadecyl-2H-imidazole
CID 69396698
1-methyl-3-octadecyl-2H-imidazole;hydrochloride
CID 173017387
1-methyl-3-tridecyl-2H-imidazole;hydrochloride
CID 175556841
1-decyl-3-methyl-2H-imidazole;hydrofluoride
CID 174870192
1-methyl-3-octyl-2H-imidazole;hydrate
CID 172807129
1-hexyl-3-methyl-2H-imidazole;nitric acid
CID 170919718
fluoromethane;1-hexyl-3-methyl-2H-imidazole
CID 174715359
1-hexadecyl-3-methyl-2H-imidazole;methanesulfonic acid
CID 174775382
bis(butanedioate);1-butyl-3-methyl-2H-imidazole;1-methyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole
CID 162291377
1-hexadecyl-3-methyl-2H-imidazole tetrafluoroborate
CID 159038407
dichlorozinc;1-hexyl-3-methyl-2H-imidazole
CID 174760028

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-methyl-2H-imidazole acetate?
The IUPAC name of 1-hexyl-3-methyl-2H-imidazole acetate (CID 162278554) is 1-hexyl-3-methyl-2H-imidazole acetate.
What is the SMILES notation for 1-hexyl-3-methyl-2H-imidazole acetate?
The canonical SMILES for 1-hexyl-3-methyl-2H-imidazole acetate is CC(=O)[O-].CCCCCCN1C=CN(C)C1.
What is the InChIKey of 1-hexyl-3-methyl-2H-imidazole acetate?
The InChIKey is UCORDLUWXAPELE-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H20N2.C2H4O2/c1-3-4-5-6-7-12-9-8-11(2)10-12;1-2(3)4/h8-9H,3-7,10H2,1-2H3;1H3,(H,3,4)/p-1.
What are the key properties of 1-hexyl-3-methyl-2H-imidazole acetate?
1-hexyl-3-methyl-2H-imidazole acetate has a molecular weight of 227.33 g/mol, XLogP of 1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-methyl-2H-imidazole acetate is sourced from PubChem (CID 162278554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).