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

C8H12Cl2F3N3 — CID 167730453

IUPAC2-[(2S)-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-;;/m0../s1
InChIKeyNJZVSUCOCCWRQH-XRIGFGBMSA-N
MW278.11 g/mol
LogP2.70
Rot. Bonds1

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

2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole;dihydrochloride (PubChem CID 167730453) has the molecular formula C8H12Cl2F3N3 and a molecular weight of 278.11 g/mol. Its IUPAC name is 2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole;dihydrochloride.

Molecular Properties

Compound Name2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole;dihydrochloride
PubChem CID167730453
Molecular FormulaC8H12Cl2F3N3
Molecular Weight278.11 g/mol
Exact Mass277.04
IUPAC Name2-[(2S)-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-;;/m0../s1
InChIKeyNJZVSUCOCCWRQH-XRIGFGBMSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole;dihydrochloride?
The IUPAC name of 2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole;dihydrochloride (CID 167730453) is 2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole;dihydrochloride.
What is the SMILES notation for 2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole;dihydrochloride?
The canonical SMILES for 2-[(2S)-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-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole;dihydrochloride?
The InChIKey is NJZVSUCOCCWRQH-XRIGFGBMSA-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-;;/m0../s1.
What are the key properties of 2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole;dihydrochloride?
2-[(2S)-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-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole;dihydrochloride is sourced from PubChem (CID 167730453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).