1,3-dicyclohexylimidazol-1-ium iodide

C15H25IN2 — CID 87786165

IUPAC1,3-dicyclohexylimidazol-1-ium iodide
SMILES[I-].c1c[n+](C2CCCCC2)cn1C1CCCCC1
InChIInChI=1S/C15H25N2.HI/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;/h11-15H,1-10H2;1H/q+1;/p-1
InChIKeyMKXQZZCCCTVWCY-UHFFFAOYSA-M
MW360.28 g/mol
LogP0.79
Rot. Bonds2

About 1,3-dicyclohexylimidazol-1-ium iodide

1,3-dicyclohexylimidazol-1-ium iodide (PubChem CID 87786165) has the molecular formula C15H25IN2 and a molecular weight of 360.28 g/mol. Its IUPAC name is 1,3-dicyclohexylimidazol-1-ium iodide.

Molecular Properties

Compound Name1,3-dicyclohexylimidazol-1-ium iodide
PubChem CID87786165
Molecular FormulaC15H25IN2
Molecular Weight360.28 g/mol
Exact Mass360.11
IUPAC Name1,3-dicyclohexylimidazol-1-ium iodide
SMILES[I-].c1c[n+](C2CCCCC2)cn1C1CCCCC1
InChIInChI=1S/C15H25N2.HI/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;/h11-15H,1-10H2;1H/q+1;/p-1
InChIKeyMKXQZZCCCTVWCY-UHFFFAOYSA-M
XLogP0.79
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.28
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexylimidazol-1-ium iodide?
The IUPAC name of 1,3-dicyclohexylimidazol-1-ium iodide (CID 87786165) is 1,3-dicyclohexylimidazol-1-ium iodide.
What is the SMILES notation for 1,3-dicyclohexylimidazol-1-ium iodide?
The canonical SMILES for 1,3-dicyclohexylimidazol-1-ium iodide is [I-].c1c[n+](C2CCCCC2)cn1C1CCCCC1.
What is the InChIKey of 1,3-dicyclohexylimidazol-1-ium iodide?
The InChIKey is MKXQZZCCCTVWCY-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H25N2.HI/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;/h11-15H,1-10H2;1H/q+1;/p-1.
What are the key properties of 1,3-dicyclohexylimidazol-1-ium iodide?
1,3-dicyclohexylimidazol-1-ium iodide has a molecular weight of 360.28 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexylimidazol-1-ium iodide is sourced from PubChem (CID 87786165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).