5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole;2,2,2-trifluoroacetic acid

C12H18F3N3O2 — CID 129096538

IUPAC5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole;2,2,2-trifluoroacetic acid
SMILESCC(C)c1cnc(C2CCCN2)[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H17N3.C2HF3O2/c1-7(2)9-6-12-10(13-9)8-4-3-5-11-8;3-2(4,5)1(6)7/h6-8,11H,3-5H2,1-2H3,(H,12,13);(H,6,7)
InChIKeyHEMVGNGXZASZNF-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.59
Rot. Bonds2

About 5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole;2,2,2-trifluoroacetic acid

5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole;2,2,2-trifluoroacetic acid (PubChem CID 129096538) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole;2,2,2-trifluoroacetic acid
PubChem CID129096538
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC Name5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole;2,2,2-trifluoroacetic acid
SMILESCC(C)c1cnc(C2CCCN2)[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H17N3.C2HF3O2/c1-7(2)9-6-12-10(13-9)8-4-3-5-11-8;3-2(4,5)1(6)7/h6-8,11H,3-5H2,1-2H3,(H,12,13);(H,6,7)
InChIKeyHEMVGNGXZASZNF-UHFFFAOYSA-N
XLogP2.59
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-pyrrolidin-2-yl]-5-[6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-1H-imidazole;2,2,2-trifluoroacetic acid
CID 172682436
2-[(2S)-pyrrolidin-2-yl]-1H-imidazole;2,2,2-trifluoroacetic acid
CID 172788973
2-[(2R)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole;dihydrochloride
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5-tert-butyl-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole
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5-tert-butyl-2-pyrrolidin-2-yl-1H-imidazole
CID 43650696
5-(2-methylpropyl)-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 84686950
propyl 5-pyrrolidin-2-ylpyrazine-2-carboxylate;2,2,2-trifluoroacetic acid
CID 155981951
5-(2-methyl-5-propan-2-ylphenyl)-2-pyrrolidin-2-yl-1H-imidazole
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2-(5-tert-butyl-1H-imidazol-2-yl)azepane
CID 64570176
2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]piperidine
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3-tert-butyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 69256891
5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole;2,2,2-trifluoroacetic acid (CID 129096538) is 5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole;2,2,2-trifluoroacetic acid is CC(C)c1cnc(C2CCCN2)[nH]1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole;2,2,2-trifluoroacetic acid?
The InChIKey is HEMVGNGXZASZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3.C2HF3O2/c1-7(2)9-6-12-10(13-9)8-4-3-5-11-8;3-2(4,5)1(6)7/h6-8,11H,3-5H2,1-2H3,(H,12,13);(H,6,7).
What are the key properties of 5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole;2,2,2-trifluoroacetic acid?
5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole;2,2,2-trifluoroacetic acid has a molecular weight of 293.29 g/mol, XLogP of 2.59, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 129096538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).