1-(cyclohexylmethyl)-3-methyl-2H-imidazole;hydroiodide

C11H21IN2 — CID 173062605

IUPAC1-(cyclohexylmethyl)-3-methyl-2H-imidazole;hydroiodide
SMILESCN1C=CN(CC2CCCCC2)C1.I
InChIInChI=1S/C11H20N2.HI/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11;/h7-8,11H,2-6,9-10H2,1H3;1H
InChIKeySIMRMRKJKYKIJI-UHFFFAOYSA-N
MW308.21 g/mol
LogP2.86
Rot. Bonds2

About 1-(cyclohexylmethyl)-3-methyl-2H-imidazole;hydroiodide

1-(cyclohexylmethyl)-3-methyl-2H-imidazole;hydroiodide (PubChem CID 173062605) has the molecular formula C11H21IN2 and a molecular weight of 308.21 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-methyl-2H-imidazole;hydroiodide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-methyl-2H-imidazole;hydroiodide
PubChem CID173062605
Molecular FormulaC11H21IN2
Molecular Weight308.21 g/mol
Exact Mass308.07
IUPAC Name1-(cyclohexylmethyl)-3-methyl-2H-imidazole;hydroiodide
SMILESCN1C=CN(CC2CCCCC2)C1.I
InChIInChI=1S/C11H20N2.HI/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11;/h7-8,11H,2-6,9-10H2,1H3;1H
InChIKeySIMRMRKJKYKIJI-UHFFFAOYSA-N
XLogP2.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-methyl-2H-imidazole;hydroiodide?
The IUPAC name of 1-(cyclohexylmethyl)-3-methyl-2H-imidazole;hydroiodide (CID 173062605) is 1-(cyclohexylmethyl)-3-methyl-2H-imidazole;hydroiodide.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-methyl-2H-imidazole;hydroiodide?
The canonical SMILES for 1-(cyclohexylmethyl)-3-methyl-2H-imidazole;hydroiodide is CN1C=CN(CC2CCCCC2)C1.I.
What is the InChIKey of 1-(cyclohexylmethyl)-3-methyl-2H-imidazole;hydroiodide?
The InChIKey is SIMRMRKJKYKIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2.HI/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11;/h7-8,11H,2-6,9-10H2,1H3;1H.
What are the key properties of 1-(cyclohexylmethyl)-3-methyl-2H-imidazole;hydroiodide?
1-(cyclohexylmethyl)-3-methyl-2H-imidazole;hydroiodide has a molecular weight of 308.21 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-methyl-2H-imidazole;hydroiodide is sourced from PubChem (CID 173062605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).