1-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl)-2,2,2-trifluoroethanone

C9H10F3N3O — CID 153277592

IUPAC1-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl)-2,2,2-trifluoroethanone
SMILESCc1nc2c(n1C)CN(C(=O)C(F)(F)F)C2
InChIInChI=1S/C9H10F3N3O/c1-5-13-6-3-15(4-7(6)14(5)2)8(16)9(10,11)12/h3-4H2,1-2H3
InChIKeyKIDGXMPMZHDKGA-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.13
Rot. Bonds

About 1-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl)-2,2,2-trifluoroethanone

1-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl)-2,2,2-trifluoroethanone (PubChem CID 153277592) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is 1-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl)-2,2,2-trifluoroethanone
PubChem CID153277592
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC Name1-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl)-2,2,2-trifluoroethanone
SMILESCc1nc2c(n1C)CN(C(=O)C(F)(F)F)C2
InChIInChI=1S/C9H10F3N3O/c1-5-13-6-3-15(4-7(6)14(5)2)8(16)9(10,11)12/h3-4H2,1-2H3
InChIKeyKIDGXMPMZHDKGA-UHFFFAOYSA-N
XLogP1.13
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl)-2,2,2-trifluoroethanone with MolForge

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Related Compounds

1-Methyl-2-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole
CID 57931332
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-Hydroxy-3-methyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613806
3-(Difluoromethyl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
CID 118613839
5-Hydroxy-2-methyl-3-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613867
3-(difluoromethyl)-5-hydroxy-N-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
CID 118613885
2-(Difluoromethyl)-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614117
3-(5-Hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 118614282
Tert-butyl 3-(difluoromethyl)-2-formyl-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxylate
CID 118614444
Tert-butyl 2-cyano-3-(difluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxylate
CID 118614450
2-methyl-3-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
CID 118614473

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl)-2,2,2-trifluoroethanone (CID 153277592) is 1-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl)-2,2,2-trifluoroethanone is Cc1nc2c(n1C)CN(C(=O)C(F)(F)F)C2.
What is the InChIKey of 1-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl)-2,2,2-trifluoroethanone?
The InChIKey is KIDGXMPMZHDKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c1-5-13-6-3-15(4-7(6)14(5)2)8(16)9(10,11)12/h3-4H2,1-2H3.
What are the key properties of 1-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl)-2,2,2-trifluoroethanone?
1-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl)-2,2,2-trifluoroethanone has a molecular weight of 233.19 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 153277592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).