2-[(2R)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole;dihydrochloride

C8H12Cl2F3N3 — CID 167720492

IUPAC2-[(2R)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole;dihydrochloride
SMILESCl.Cl.FC(F)(F)c1cnc([C@H]2CCCN2)[nH]1
InChIInChI=1S/C8H10F3N3.2ClH/c9-8(10,11)6-4-13-7(14-6)5-2-1-3-12-5;;/h4-5,12H,1-3H2,(H,13,14);2*1H/t5-;;/m1../s1
InChIKeyNJZVSUCOCCWRQH-ZJIMSODOSA-N
MW278.11 g/mol
LogP2.70
Rot. Bonds1

About 2-[(2R)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole;dihydrochloride

2-[(2R)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole;dihydrochloride (PubChem CID 167720492) has the molecular formula C8H12Cl2F3N3 and a molecular weight of 278.11 g/mol. Its IUPAC name is 2-[(2R)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole;dihydrochloride.

Molecular Properties

Compound Name2-[(2R)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole;dihydrochloride
PubChem CID167720492
Molecular FormulaC8H12Cl2F3N3
Molecular Weight278.11 g/mol
Exact Mass277.04
IUPAC Name2-[(2R)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole;dihydrochloride
SMILESCl.Cl.FC(F)(F)c1cnc([C@H]2CCCN2)[nH]1
InChIInChI=1S/C8H10F3N3.2ClH/c9-8(10,11)6-4-13-7(14-6)5-2-1-3-12-5;;/h4-5,12H,1-3H2,(H,13,14);2*1H/t5-;;/m1../s1
InChIKeyNJZVSUCOCCWRQH-ZJIMSODOSA-N
XLogP2.70
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole
CID 93255768
5-tert-butyl-2-pyrrolidin-2-yl-1H-imidazole
CID 43650696
2-(5-tert-butyl-1H-imidazol-2-yl)azepane
CID 64570176
2-cyclopentyl-5-(trifluoromethyl)-1H-imidazole
CID 71204532
[(2R)-pyrrolidin-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 100647291
5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole;2,2,2-trifluoroacetic acid
CID 129096538
5-ethynyl-2-pyrrolidin-2-yl-1H-imidazole
CID 91164756
2-chloro-3-pyrrolidin-2-yl-5-(trifluoromethyl)pyridine
CID 130144513
5-[(2R)-pyrrolidin-2-yl]-2-(trifluoromethyl)pyridine
CID 97289984
5-(2-chlorophenyl)-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole
CID 93255754
3-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclohexan-1-amine
CID 63046647
5-fluoro-2-(2-piperidin-2-yl-1H-imidazol-5-yl)pyridine
CID 83124993

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole;dihydrochloride?
The IUPAC name of 2-[(2R)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole;dihydrochloride (CID 167720492) is 2-[(2R)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole;dihydrochloride.
What is the SMILES notation for 2-[(2R)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole;dihydrochloride?
The canonical SMILES for 2-[(2R)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole;dihydrochloride is Cl.Cl.FC(F)(F)c1cnc([C@H]2CCCN2)[nH]1.
What is the InChIKey of 2-[(2R)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole;dihydrochloride?
The InChIKey is NJZVSUCOCCWRQH-ZJIMSODOSA-N. The full InChI is InChI=1S/C8H10F3N3.2ClH/c9-8(10,11)6-4-13-7(14-6)5-2-1-3-12-5;;/h4-5,12H,1-3H2,(H,13,14);2*1H/t5-;;/m1../s1.
What are the key properties of 2-[(2R)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole;dihydrochloride?
2-[(2R)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole;dihydrochloride has a molecular weight of 278.11 g/mol, XLogP of 2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole;dihydrochloride is sourced from PubChem (CID 167720492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).