2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole

C12H17F3N2 — CID 90162058

IUPAC2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole
SMILESCC(C)n1cc(C(F)(F)F)nc1C1CCCC1
InChIInChI=1S/C12H17F3N2/c1-8(2)17-7-10(12(13,14)15)16-11(17)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3
InChIKeyRTHYWCIEIJLNNK-UHFFFAOYSA-N
MW246.28 g/mol
LogP4.14
Rot. Bonds2

About 2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole

2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole (PubChem CID 90162058) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole
PubChem CID90162058
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole
SMILESCC(C)n1cc(C(F)(F)F)nc1C1CCCC1
InChIInChI=1S/C12H17F3N2/c1-8(2)17-7-10(12(13,14)15)16-11(17)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3
InChIKeyRTHYWCIEIJLNNK-UHFFFAOYSA-N
XLogP4.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole?
The IUPAC name of 2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole (CID 90162058) is 2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole?
The canonical SMILES for 2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole is CC(C)n1cc(C(F)(F)F)nc1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole?
The InChIKey is RTHYWCIEIJLNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-8(2)17-7-10(12(13,14)15)16-11(17)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole?
2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole has a molecular weight of 246.28 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 90162058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).