2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylic acid

C7H6F3N3O2 — CID 68716927

IUPAC2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylic acid
SMILESO=C(O)N1Cc2nc(C(F)(F)F)[nH]c2C1
InChIInChI=1S/C7H6F3N3O2/c8-7(9,10)5-11-3-1-13(6(14)15)2-4(3)12-5/h1-2H2,(H,11,12)(H,14,15)
InChIKeyRMYUYJVTFIQNFT-UHFFFAOYSA-N
MW221.14 g/mol
LogP1.42
Rot. Bonds

About 2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylic acid

2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylic acid (PubChem CID 68716927) has the molecular formula C7H6F3N3O2 and a molecular weight of 221.14 g/mol. Its IUPAC name is 2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylic acid
PubChem CID68716927
Molecular FormulaC7H6F3N3O2
Molecular Weight221.14 g/mol
Exact Mass221.04
IUPAC Name2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylic acid
SMILESO=C(O)N1Cc2nc(C(F)(F)F)[nH]c2C1
InChIInChI=1S/C7H6F3N3O2/c8-7(9,10)5-11-3-1-13(6(14)15)2-4(3)12-5/h1-2H2,(H,11,12)(H,14,15)
InChIKeyRMYUYJVTFIQNFT-UHFFFAOYSA-N
XLogP1.42
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole
CID 45120581
5-propan-2-yl-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole
CID 57931353
2-[4-iodo-5-(trifluoromethyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 67993028
tert-Butyl 2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5(1H)-carboxylate
CID 68717761
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
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
butyl 2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate
CID 172746852
5-(2,2,2-trifluoroacetyl)-1H,4H,5H,6H-pyrrolo[3,4-d]imidazole-2-carboxylic acid
CID 167718120
2-(trifluoromethyl)-1H,4H,5H,6H-pyrrolo[3,4-d]imidazole dihydrochloride
CID 168030105
2-(Difluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole
CID 177800914

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylic acid?
The IUPAC name of 2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylic acid (CID 68716927) is 2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylic acid.
What is the SMILES notation for 2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylic acid?
The canonical SMILES for 2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylic acid is O=C(O)N1Cc2nc(C(F)(F)F)[nH]c2C1.
What is the InChIKey of 2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylic acid?
The InChIKey is RMYUYJVTFIQNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O2/c8-7(9,10)5-11-3-1-13(6(14)15)2-4(3)12-5/h1-2H2,(H,11,12)(H,14,15).
What are the key properties of 2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylic acid?
2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylic acid has a molecular weight of 221.14 g/mol, XLogP of 1.42, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylic acid is sourced from PubChem (CID 68716927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).