1-(4-ethylcyclohexyl)imidazole

C11H18N2 — CID 64776117

IUPAC1-(4-ethylcyclohexyl)imidazole
SMILESCCC1CCC(n2ccnc2)CC1
InChIInChI=1S/C11H18N2/c1-2-10-3-5-11(6-4-10)13-8-7-12-9-13/h7-11H,2-6H2,1H3
InChIKeyBNURHGMOGRZZAQ-UHFFFAOYSA-N
MW178.28 g/mol
LogP3.02
Rot. Bonds2

About 1-(4-ethylcyclohexyl)imidazole

1-(4-ethylcyclohexyl)imidazole (PubChem CID 64776117) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)imidazole.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)imidazole
PubChem CID64776117
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-(4-ethylcyclohexyl)imidazole
SMILESCCC1CCC(n2ccnc2)CC1
InChIInChI=1S/C11H18N2/c1-2-10-3-5-11(6-4-10)13-8-7-12-9-13/h7-11H,2-6H2,1H3
InChIKeyBNURHGMOGRZZAQ-UHFFFAOYSA-N
XLogP3.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)imidazole?
The IUPAC name of 1-(4-ethylcyclohexyl)imidazole (CID 64776117) is 1-(4-ethylcyclohexyl)imidazole.
What is the SMILES notation for 1-(4-ethylcyclohexyl)imidazole?
The canonical SMILES for 1-(4-ethylcyclohexyl)imidazole is CCC1CCC(n2ccnc2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)imidazole?
The InChIKey is BNURHGMOGRZZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-2-10-3-5-11(6-4-10)13-8-7-12-9-13/h7-11H,2-6H2,1H3.
What are the key properties of 1-(4-ethylcyclohexyl)imidazole?
1-(4-ethylcyclohexyl)imidazole has a molecular weight of 178.28 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)imidazole is sourced from PubChem (CID 64776117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).