3-(difluoromethyl)-5-hydroxy-N-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide

C8H10F2N4O2 — CID 118613885

IUPAC3-(difluoromethyl)-5-hydroxy-N-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
SMILESCNC(=O)c1nc2c(n1C(F)F)CN(O)C2
InChIInChI=1S/C8H10F2N4O2/c1-11-7(15)6-12-4-2-13(16)3-5(4)14(6)8(9)10/h8,16H,2-3H2,1H3,(H,11,15)
InChIKeyBZXASPIWIARQBM-UHFFFAOYSA-N
MW232.19 g/mol
LogP0.34
Rot. Bonds2

About 3-(difluoromethyl)-5-hydroxy-N-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide

3-(difluoromethyl)-5-hydroxy-N-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide (PubChem CID 118613885) has the molecular formula C8H10F2N4O2 and a molecular weight of 232.19 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-hydroxy-N-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-5-hydroxy-N-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
PubChem CID118613885
Molecular FormulaC8H10F2N4O2
Molecular Weight232.19 g/mol
Exact Mass232.08
IUPAC Name3-(difluoromethyl)-5-hydroxy-N-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
SMILESCNC(=O)c1nc2c(n1C(F)F)CN(O)C2
InChIInChI=1S/C8H10F2N4O2/c1-11-7(15)6-12-4-2-13(16)3-5(4)14(6)8(9)10/h8,16H,2-3H2,1H3,(H,11,15)
InChIKeyBZXASPIWIARQBM-UHFFFAOYSA-N
XLogP0.34
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-hydroxy-N-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The IUPAC name of 3-(difluoromethyl)-5-hydroxy-N-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide (CID 118613885) is 3-(difluoromethyl)-5-hydroxy-N-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-5-hydroxy-N-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-5-hydroxy-N-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide is CNC(=O)c1nc2c(n1C(F)F)CN(O)C2.
What is the InChIKey of 3-(difluoromethyl)-5-hydroxy-N-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The InChIKey is BZXASPIWIARQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N4O2/c1-11-7(15)6-12-4-2-13(16)3-5(4)14(6)8(9)10/h8,16H,2-3H2,1H3,(H,11,15).
What are the key properties of 3-(difluoromethyl)-5-hydroxy-N-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
3-(difluoromethyl)-5-hydroxy-N-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide has a molecular weight of 232.19 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-hydroxy-N-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide is sourced from PubChem (CID 118613885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).