2-cyclopentyl-1-methyl-4-(trifluoromethyl)imidazole

C10H13F3N2 — CID 90167813

IUPAC2-cyclopentyl-1-methyl-4-(trifluoromethyl)imidazole
SMILESCn1cc(C(F)(F)F)nc1C1CCCC1
InChIInChI=1S/C10H13F3N2/c1-15-6-8(10(11,12)13)14-9(15)7-4-2-3-5-7/h6-7H,2-5H2,1H3
InChIKeyUPKRMYATVHOTHO-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.10
Rot. Bonds1

About 2-cyclopentyl-1-methyl-4-(trifluoromethyl)imidazole

2-cyclopentyl-1-methyl-4-(trifluoromethyl)imidazole (PubChem CID 90167813) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-cyclopentyl-1-methyl-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name2-cyclopentyl-1-methyl-4-(trifluoromethyl)imidazole
PubChem CID90167813
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name2-cyclopentyl-1-methyl-4-(trifluoromethyl)imidazole
SMILESCn1cc(C(F)(F)F)nc1C1CCCC1
InChIInChI=1S/C10H13F3N2/c1-15-6-8(10(11,12)13)14-9(15)7-4-2-3-5-7/h6-7H,2-5H2,1H3
InChIKeyUPKRMYATVHOTHO-UHFFFAOYSA-N
XLogP3.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-methyl-4-(trifluoromethyl)imidazole?
The IUPAC name of 2-cyclopentyl-1-methyl-4-(trifluoromethyl)imidazole (CID 90167813) is 2-cyclopentyl-1-methyl-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 2-cyclopentyl-1-methyl-4-(trifluoromethyl)imidazole?
The canonical SMILES for 2-cyclopentyl-1-methyl-4-(trifluoromethyl)imidazole is Cn1cc(C(F)(F)F)nc1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-1-methyl-4-(trifluoromethyl)imidazole?
The InChIKey is UPKRMYATVHOTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-15-6-8(10(11,12)13)14-9(15)7-4-2-3-5-7/h6-7H,2-5H2,1H3.
What are the key properties of 2-cyclopentyl-1-methyl-4-(trifluoromethyl)imidazole?
2-cyclopentyl-1-methyl-4-(trifluoromethyl)imidazole has a molecular weight of 218.22 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-methyl-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 90167813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).