3,5-dimethyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole

C8H10F3N3 — CID 70875703

IUPAC3,5-dimethyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCN1Cc2nc(C(F)(F)F)n(C)c2C1
InChIInChI=1S/C8H10F3N3/c1-13-3-5-6(4-13)14(2)7(12-5)8(9,10)11/h3-4H2,1-2H3
InChIKeyGEKDZYDQYXYXQI-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.38
Rot. Bonds

About 3,5-dimethyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole

3,5-dimethyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole (PubChem CID 70875703) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is 3,5-dimethyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name3,5-dimethyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole
PubChem CID70875703
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name3,5-dimethyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCN1Cc2nc(C(F)(F)F)n(C)c2C1
InChIInChI=1S/C8H10F3N3/c1-13-3-5-6(4-13)14(2)7(12-5)8(9,10)11/h3-4H2,1-2H3
InChIKeyGEKDZYDQYXYXQI-UHFFFAOYSA-N
XLogP1.38
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole?
The IUPAC name of 3,5-dimethyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole (CID 70875703) is 3,5-dimethyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole.
What is the SMILES notation for 3,5-dimethyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole?
The canonical SMILES for 3,5-dimethyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole is CN1Cc2nc(C(F)(F)F)n(C)c2C1.
What is the InChIKey of 3,5-dimethyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole?
The InChIKey is GEKDZYDQYXYXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c1-13-3-5-6(4-13)14(2)7(12-5)8(9,10)11/h3-4H2,1-2H3.
What are the key properties of 3,5-dimethyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole?
3,5-dimethyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole has a molecular weight of 205.18 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole is sourced from PubChem (CID 70875703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).