4-ethyl-1-(4-fluorocyclohexyl)imidazole

C11H17FN2 — CID 168900429

IUPAC4-ethyl-1-(4-fluorocyclohexyl)imidazole
SMILESCCc1cn(C2CCC(F)CC2)cn1
InChIInChI=1S/C11H17FN2/c1-2-10-7-14(8-13-10)11-5-3-9(12)4-6-11/h7-9,11H,2-6H2,1H3
InChIKeyPOCWZEPQIUSOKE-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.90
Rot. Bonds2

About 4-ethyl-1-(4-fluorocyclohexyl)imidazole

4-ethyl-1-(4-fluorocyclohexyl)imidazole (PubChem CID 168900429) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 4-ethyl-1-(4-fluorocyclohexyl)imidazole.

Molecular Properties

Compound Name4-ethyl-1-(4-fluorocyclohexyl)imidazole
PubChem CID168900429
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name4-ethyl-1-(4-fluorocyclohexyl)imidazole
SMILESCCc1cn(C2CCC(F)CC2)cn1
InChIInChI=1S/C11H17FN2/c1-2-10-7-14(8-13-10)11-5-3-9(12)4-6-11/h7-9,11H,2-6H2,1H3
InChIKeyPOCWZEPQIUSOKE-UHFFFAOYSA-N
XLogP2.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(4-fluorocyclohexyl)imidazole?
The IUPAC name of 4-ethyl-1-(4-fluorocyclohexyl)imidazole (CID 168900429) is 4-ethyl-1-(4-fluorocyclohexyl)imidazole.
What is the SMILES notation for 4-ethyl-1-(4-fluorocyclohexyl)imidazole?
The canonical SMILES for 4-ethyl-1-(4-fluorocyclohexyl)imidazole is CCc1cn(C2CCC(F)CC2)cn1.
What is the InChIKey of 4-ethyl-1-(4-fluorocyclohexyl)imidazole?
The InChIKey is POCWZEPQIUSOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-2-10-7-14(8-13-10)11-5-3-9(12)4-6-11/h7-9,11H,2-6H2,1H3.
What are the key properties of 4-ethyl-1-(4-fluorocyclohexyl)imidazole?
4-ethyl-1-(4-fluorocyclohexyl)imidazole has a molecular weight of 196.27 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(4-fluorocyclohexyl)imidazole is sourced from PubChem (CID 168900429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).