2-methyl-3-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole

C8H10F3N3 — CID 118614473

IUPAC2-methyl-3-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
SMILESCc1nc2c(n1CC(F)(F)F)CNC2
InChIInChI=1S/C8H10F3N3/c1-5-13-6-2-12-3-7(6)14(5)4-8(9,10)11/h12H,2-4H2,1H3
InChIKeyLLNBBLJMEDYCGP-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.36
Rot. Bonds1

About 2-methyl-3-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole

2-methyl-3-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole (PubChem CID 118614473) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-methyl-3-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name2-methyl-3-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
PubChem CID118614473
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name2-methyl-3-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
SMILESCc1nc2c(n1CC(F)(F)F)CNC2
InChIInChI=1S/C8H10F3N3/c1-5-13-6-2-12-3-7(6)14(5)4-8(9,10)11/h12H,2-4H2,1H3
InChIKeyLLNBBLJMEDYCGP-UHFFFAOYSA-N
XLogP1.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole
CID 45120581
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
3-Methyl-5-propan-2-yl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 57931370
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
Imidazo[1,5-a]pyrazine,5,6,7,8-tetrahydro-1-methyl-3-(trifluoromethyl)-
CID 76849746
5-methyl-2-(trifluoromethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole
CID 117633279
5-Hydroxy-3-methyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613806
5-Hydroxy-2-methyl-3-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613867
2-[1-(difluoromethyl)-2H-triazet-4-yl]-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
CID 118614077

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The IUPAC name of 2-methyl-3-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole (CID 118614473) is 2-methyl-3-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole.
What is the SMILES notation for 2-methyl-3-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The canonical SMILES for 2-methyl-3-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole is Cc1nc2c(n1CC(F)(F)F)CNC2.
What is the InChIKey of 2-methyl-3-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
The InChIKey is LLNBBLJMEDYCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c1-5-13-6-2-12-3-7(6)14(5)4-8(9,10)11/h12H,2-4H2,1H3.
What are the key properties of 2-methyl-3-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole?
2-methyl-3-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole has a molecular weight of 205.18 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole is sourced from PubChem (CID 118614473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).