1-cyclohexylimidazole

C9H14N2 — CID 10942619

IUPAC1-cyclohexylimidazole
SMILESc1cn(C2CCCCC2)cn1
InChIInChI=1S/C9H14N2/c1-2-4-9(5-3-1)11-7-6-10-8-11/h6-9H,1-5H2
InChIKeyVGZINEPOBWTUEH-UHFFFAOYSA-N
MW150.23 g/mol
LogP2.39
Rot. Bonds1

About 1-cyclohexylimidazole

1-cyclohexylimidazole (PubChem CID 10942619) has the molecular formula C9H14N2 and a molecular weight of 150.23 g/mol. Its IUPAC name is 1-cyclohexylimidazole.

Molecular Properties

Compound Name1-cyclohexylimidazole
PubChem CID10942619
Molecular FormulaC9H14N2
Molecular Weight150.23 g/mol
Exact Mass150.12
IUPAC Name1-cyclohexylimidazole
SMILESc1cn(C2CCCCC2)cn1
InChIInChI=1S/C9H14N2/c1-2-4-9(5-3-1)11-7-6-10-8-11/h6-9H,1-5H2
InChIKeyVGZINEPOBWTUEH-UHFFFAOYSA-N
XLogP2.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.23
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylimidazole?
The IUPAC name of 1-cyclohexylimidazole (CID 10942619) is 1-cyclohexylimidazole.
What is the SMILES notation for 1-cyclohexylimidazole?
The canonical SMILES for 1-cyclohexylimidazole is c1cn(C2CCCCC2)cn1.
What is the InChIKey of 1-cyclohexylimidazole?
The InChIKey is VGZINEPOBWTUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-4-9(5-3-1)11-7-6-10-8-11/h6-9H,1-5H2.
What are the key properties of 1-cyclohexylimidazole?
1-cyclohexylimidazole has a molecular weight of 150.23 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylimidazole is sourced from PubChem (CID 10942619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).