2-(4-methoxypyrrolidin-2-yl)-5-(trifluoromethyl)-1H-imidazole

C9H12F3N3O — CID 61213948

IUPAC2-(4-methoxypyrrolidin-2-yl)-5-(trifluoromethyl)-1H-imidazole
SMILESCOC1CNC(c2ncc(C(F)(F)F)[nH]2)C1
InChIInChI=1S/C9H12F3N3O/c1-16-5-2-6(13-3-5)8-14-4-7(15-8)9(10,11)12/h4-6,13H,2-3H2,1H3,(H,14,15)
InChIKeyHPTJNNBYLNDXTB-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.48
Rot. Bonds2

About 2-(4-methoxypyrrolidin-2-yl)-5-(trifluoromethyl)-1H-imidazole

2-(4-methoxypyrrolidin-2-yl)-5-(trifluoromethyl)-1H-imidazole (PubChem CID 61213948) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 2-(4-methoxypyrrolidin-2-yl)-5-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name2-(4-methoxypyrrolidin-2-yl)-5-(trifluoromethyl)-1H-imidazole
PubChem CID61213948
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name2-(4-methoxypyrrolidin-2-yl)-5-(trifluoromethyl)-1H-imidazole
SMILESCOC1CNC(c2ncc(C(F)(F)F)[nH]2)C1
InChIInChI=1S/C9H12F3N3O/c1-16-5-2-6(13-3-5)8-14-4-7(15-8)9(10,11)12/h4-6,13H,2-3H2,1H3,(H,14,15)
InChIKeyHPTJNNBYLNDXTB-UHFFFAOYSA-N
XLogP1.48
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxypyrrolidin-2-yl)-5-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 2-(4-methoxypyrrolidin-2-yl)-5-(trifluoromethyl)-1H-imidazole (CID 61213948) is 2-(4-methoxypyrrolidin-2-yl)-5-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 2-(4-methoxypyrrolidin-2-yl)-5-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 2-(4-methoxypyrrolidin-2-yl)-5-(trifluoromethyl)-1H-imidazole is COC1CNC(c2ncc(C(F)(F)F)[nH]2)C1.
What is the InChIKey of 2-(4-methoxypyrrolidin-2-yl)-5-(trifluoromethyl)-1H-imidazole?
The InChIKey is HPTJNNBYLNDXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-16-5-2-6(13-3-5)8-14-4-7(15-8)9(10,11)12/h4-6,13H,2-3H2,1H3,(H,14,15).
What are the key properties of 2-(4-methoxypyrrolidin-2-yl)-5-(trifluoromethyl)-1H-imidazole?
2-(4-methoxypyrrolidin-2-yl)-5-(trifluoromethyl)-1H-imidazole has a molecular weight of 235.21 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxypyrrolidin-2-yl)-5-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 61213948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).