1-hexyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium iodide

C11H23IN2 — CID 57376742

IUPAC1-hexyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium iodide
SMILESCCCCCC[NH+]1C=CN(C)C1C.[I-]
InChIInChI=1S/C11H22N2.HI/c1-4-5-6-7-8-13-10-9-12(3)11(13)2;/h9-11H,4-8H2,1-3H3;1H
InChIKeyUPHBVNMQZSLYCW-UHFFFAOYSA-N
MW310.22 g/mol
LogP-1.78
Rot. Bonds5

About 1-hexyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium iodide

1-hexyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium iodide (PubChem CID 57376742) has the molecular formula C11H23IN2 and a molecular weight of 310.22 g/mol. Its IUPAC name is 1-hexyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium iodide.

Molecular Properties

Compound Name1-hexyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium iodide
PubChem CID57376742
Molecular FormulaC11H23IN2
Molecular Weight310.22 g/mol
Exact Mass310.09
IUPAC Name1-hexyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium iodide
SMILESCCCCCC[NH+]1C=CN(C)C1C.[I-]
InChIInChI=1S/C11H22N2.HI/c1-4-5-6-7-8-13-10-9-12(3)11(13)2;/h9-11H,4-8H2,1-3H3;1H
InChIKeyUPHBVNMQZSLYCW-UHFFFAOYSA-N
XLogP-1.78
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 5-1.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1H-Imidazolium, 1-butyl-3-methyl-, bromide
CID 53249772
1H-Imidazolium, 1-butyl-3-methyl-, chloride
CID 66823030
1H-Imidazolium, 1-hexyl-3-methyl-, chloride
CID 67523375
1,2-Dimethyl-3-octyl-2,3-dihydro-1H-imidazol-1-ium bromide
CID 71394754
1,3-Didecyl-2-methyl-1,2-dihydroimidazol-1-ium chloride
CID 3018045
1-Methyl-3-octyl-2,3-dihydro-1H-imidazol-1-ium iodide
CID 71353115
1-Methyl-3-pentyl-2,3-dihydro-1H-imidazol-1-ium bromide
CID 71361025
2-undecyl-2,3-dihydro-1H-imidazole
CID 10220150
1H-Imidazolium, 1,3-didodecyl-2-methyl-, chloride (1:1)
CID 139596742
3-Butyl-2-methyl-1,2-dihydroimidazole
CID 17962990
3-Decyl-2-methyl-1,2-dihydroimidazole
CID 19047636
3-Octyl-1,2-dihydroimidazole
CID 19864128

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium iodide?
The IUPAC name of 1-hexyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium iodide (CID 57376742) is 1-hexyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium iodide.
What is the SMILES notation for 1-hexyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium iodide?
The canonical SMILES for 1-hexyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium iodide is CCCCCC[NH+]1C=CN(C)C1C.[I-].
What is the InChIKey of 1-hexyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium iodide?
The InChIKey is UPHBVNMQZSLYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.HI/c1-4-5-6-7-8-13-10-9-12(3)11(13)2;/h9-11H,4-8H2,1-3H3;1H.
What are the key properties of 1-hexyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium iodide?
1-hexyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium iodide has a molecular weight of 310.22 g/mol, XLogP of -1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium iodide is sourced from PubChem (CID 57376742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).