5-(2-cyclohexyl-3,3,3-trifluoropropyl)-1H-imidazole;hydrochloride

C12H18ClF3N2 — CID 19805604

IUPAC5-(2-cyclohexyl-3,3,3-trifluoropropyl)-1H-imidazole;hydrochloride
SMILESCl.FC(F)(F)C(Cc1cnc[nH]1)C1CCCCC1
InChIInChI=1S/C12H17F3N2.ClH/c13-12(14,15)11(6-10-7-16-8-17-10)9-4-2-1-3-5-9;/h7-9,11H,1-6H2,(H,16,17);1H
InChIKeyBFQWLSMWLQIHJZ-UHFFFAOYSA-N
MW282.74 g/mol
LogP4.13
Rot. Bonds3

About 5-(2-cyclohexyl-3,3,3-trifluoropropyl)-1H-imidazole;hydrochloride

5-(2-cyclohexyl-3,3,3-trifluoropropyl)-1H-imidazole;hydrochloride (PubChem CID 19805604) has the molecular formula C12H18ClF3N2 and a molecular weight of 282.74 g/mol. Its IUPAC name is 5-(2-cyclohexyl-3,3,3-trifluoropropyl)-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name5-(2-cyclohexyl-3,3,3-trifluoropropyl)-1H-imidazole;hydrochloride
PubChem CID19805604
Molecular FormulaC12H18ClF3N2
Molecular Weight282.74 g/mol
Exact Mass282.11
IUPAC Name5-(2-cyclohexyl-3,3,3-trifluoropropyl)-1H-imidazole;hydrochloride
SMILESCl.FC(F)(F)C(Cc1cnc[nH]1)C1CCCCC1
InChIInChI=1S/C12H17F3N2.ClH/c13-12(14,15)11(6-10-7-16-8-17-10)9-4-2-1-3-5-9;/h7-9,11H,1-6H2,(H,16,17);1H
InChIKeyBFQWLSMWLQIHJZ-UHFFFAOYSA-N
XLogP4.13
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.74
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexyl-3,3,3-trifluoropropyl)-1H-imidazole;hydrochloride?
The IUPAC name of 5-(2-cyclohexyl-3,3,3-trifluoropropyl)-1H-imidazole;hydrochloride (CID 19805604) is 5-(2-cyclohexyl-3,3,3-trifluoropropyl)-1H-imidazole;hydrochloride.
What is the SMILES notation for 5-(2-cyclohexyl-3,3,3-trifluoropropyl)-1H-imidazole;hydrochloride?
The canonical SMILES for 5-(2-cyclohexyl-3,3,3-trifluoropropyl)-1H-imidazole;hydrochloride is Cl.FC(F)(F)C(Cc1cnc[nH]1)C1CCCCC1.
What is the InChIKey of 5-(2-cyclohexyl-3,3,3-trifluoropropyl)-1H-imidazole;hydrochloride?
The InChIKey is BFQWLSMWLQIHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2.ClH/c13-12(14,15)11(6-10-7-16-8-17-10)9-4-2-1-3-5-9;/h7-9,11H,1-6H2,(H,16,17);1H.
What are the key properties of 5-(2-cyclohexyl-3,3,3-trifluoropropyl)-1H-imidazole;hydrochloride?
5-(2-cyclohexyl-3,3,3-trifluoropropyl)-1H-imidazole;hydrochloride has a molecular weight of 282.74 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexyl-3,3,3-trifluoropropyl)-1H-imidazole;hydrochloride is sourced from PubChem (CID 19805604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).