5-(4-fluorocyclohexyl)-1-(iodomethyl)-2-methylimidazole

C11H16FIN2 — CID 142265867

IUPAC5-(4-fluorocyclohexyl)-1-(iodomethyl)-2-methylimidazole
SMILESCc1ncc(C2CCC(F)CC2)n1CI
InChIInChI=1S/C11H16FIN2/c1-8-14-6-11(15(8)7-13)9-2-4-10(12)5-3-9/h6,9-10H,2-5,7H2,1H3
InChIKeyVIVDKRCYRBXGFY-UHFFFAOYSA-N
MW322.17 g/mol
LogP3.58
Rot. Bonds2

About 5-(4-fluorocyclohexyl)-1-(iodomethyl)-2-methylimidazole

5-(4-fluorocyclohexyl)-1-(iodomethyl)-2-methylimidazole (PubChem CID 142265867) has the molecular formula C11H16FIN2 and a molecular weight of 322.17 g/mol. Its IUPAC name is 5-(4-fluorocyclohexyl)-1-(iodomethyl)-2-methylimidazole.

Molecular Properties

Compound Name5-(4-fluorocyclohexyl)-1-(iodomethyl)-2-methylimidazole
PubChem CID142265867
Molecular FormulaC11H16FIN2
Molecular Weight322.17 g/mol
Exact Mass322.03
IUPAC Name5-(4-fluorocyclohexyl)-1-(iodomethyl)-2-methylimidazole
SMILESCc1ncc(C2CCC(F)CC2)n1CI
InChIInChI=1S/C11H16FIN2/c1-8-14-6-11(15(8)7-13)9-2-4-10(12)5-3-9/h6,9-10H,2-5,7H2,1H3
InChIKeyVIVDKRCYRBXGFY-UHFFFAOYSA-N
XLogP3.58
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.17
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorocyclohexyl)-1-(iodomethyl)-2-methylimidazole?
The IUPAC name of 5-(4-fluorocyclohexyl)-1-(iodomethyl)-2-methylimidazole (CID 142265867) is 5-(4-fluorocyclohexyl)-1-(iodomethyl)-2-methylimidazole.
What is the SMILES notation for 5-(4-fluorocyclohexyl)-1-(iodomethyl)-2-methylimidazole?
The canonical SMILES for 5-(4-fluorocyclohexyl)-1-(iodomethyl)-2-methylimidazole is Cc1ncc(C2CCC(F)CC2)n1CI.
What is the InChIKey of 5-(4-fluorocyclohexyl)-1-(iodomethyl)-2-methylimidazole?
The InChIKey is VIVDKRCYRBXGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FIN2/c1-8-14-6-11(15(8)7-13)9-2-4-10(12)5-3-9/h6,9-10H,2-5,7H2,1H3.
What are the key properties of 5-(4-fluorocyclohexyl)-1-(iodomethyl)-2-methylimidazole?
5-(4-fluorocyclohexyl)-1-(iodomethyl)-2-methylimidazole has a molecular weight of 322.17 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorocyclohexyl)-1-(iodomethyl)-2-methylimidazole is sourced from PubChem (CID 142265867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).