2-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole

C6H6F3N3 — CID 45120581

IUPAC2-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole
SMILESFC(F)(F)c1nc2c([nH]1)CNC2
InChIInChI=1S/C6H6F3N3/c7-6(8,9)5-11-3-1-10-2-4(3)12-5/h10H,1-2H2,(H,11,12)
InChIKeyNUMWDUZBMFQOGA-UHFFFAOYSA-N
MW177.13 g/mol
LogP1.03
Rot. Bonds

About 2-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole

2-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole (PubChem CID 45120581) has the molecular formula C6H6F3N3 and a molecular weight of 177.13 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole
PubChem CID45120581
Molecular FormulaC6H6F3N3
Molecular Weight177.13 g/mol
Exact Mass177.05
IUPAC Name2-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole
SMILESFC(F)(F)c1nc2c([nH]1)CNC2
InChIInChI=1S/C6H6F3N3/c7-6(8,9)5-11-3-1-10-2-4(3)12-5/h10H,1-2H2,(H,11,12)
InChIKeyNUMWDUZBMFQOGA-UHFFFAOYSA-N
XLogP1.03
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.13
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1H,4H,5H,6H-pyrrolo[3,4-d]imidazole dihydrochloride
CID 91759504
(2,5-Dimethyl-1H-imidazol-4-yl)methanamine
CID 82373820
1,4,5,6-Tetrahydropyrrolo[3,4-d]imidazole
CID 45120616
1-Methyl-2-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole
CID 57931332
5-propan-2-yl-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole
CID 57931353
2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylic acid
CID 68716927
3,5-Dimethyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 70875703
5-tert-butyl-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole
CID 70937962
5-ethyl-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole
CID 70938176
[4-(trifluoromethyl)-1H-imidazol-5-yl]methanamine
CID 84652002
5-methyl-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole
CID 117633279
5-hydroxy-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole
CID 118613804

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole?
The IUPAC name of 2-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole (CID 45120581) is 2-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole.
What is the SMILES notation for 2-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole?
The canonical SMILES for 2-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole is FC(F)(F)c1nc2c([nH]1)CNC2.
What is the InChIKey of 2-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole?
The InChIKey is NUMWDUZBMFQOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3/c7-6(8,9)5-11-3-1-10-2-4(3)12-5/h10H,1-2H2,(H,11,12).
What are the key properties of 2-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole?
2-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole has a molecular weight of 177.13 g/mol, XLogP of 1.03, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole is sourced from PubChem (CID 45120581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).