(3-cyclopropyl-2-oxoimidazol-1-yl)methyl-trifluoroboranuide

C7H9BF3N2O- — CID 80582870

IUPAC(3-cyclopropyl-2-oxoimidazol-1-yl)methyl-trifluoroboranuide
SMILESO=c1n(C[B-](F)(F)F)ccn1C1CC1
InChIInChI=1S/C7H9BF3N2O/c9-8(10,11)5-12-3-4-13(7(12)14)6-1-2-6/h3-4,6H,1-2,5H2/q-1
InChIKeyGYIOQALFFSUVLF-UHFFFAOYSA-N
MW204.97 g/mol
LogP1.37
Rot. Bonds3

About (3-cyclopropyl-2-oxoimidazol-1-yl)methyl-trifluoroboranuide

(3-cyclopropyl-2-oxoimidazol-1-yl)methyl-trifluoroboranuide (PubChem CID 80582870) has the molecular formula C7H9BF3N2O- and a molecular weight of 204.97 g/mol. Its IUPAC name is (3-cyclopropyl-2-oxoimidazol-1-yl)methyl-trifluoroboranuide.

Molecular Properties

Compound Name(3-cyclopropyl-2-oxoimidazol-1-yl)methyl-trifluoroboranuide
PubChem CID80582870
Molecular FormulaC7H9BF3N2O-
Molecular Weight204.97 g/mol
Exact Mass205.08
IUPAC Name(3-cyclopropyl-2-oxoimidazol-1-yl)methyl-trifluoroboranuide
SMILESO=c1n(C[B-](F)(F)F)ccn1C1CC1
InChIInChI=1S/C7H9BF3N2O/c9-8(10,11)5-12-3-4-13(7(12)14)6-1-2-6/h3-4,6H,1-2,5H2/q-1
InChIKeyGYIOQALFFSUVLF-UHFFFAOYSA-N
XLogP1.37
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.97
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-2-oxoimidazol-1-yl)methyl-trifluoroboranuide?
The IUPAC name of (3-cyclopropyl-2-oxoimidazol-1-yl)methyl-trifluoroboranuide (CID 80582870) is (3-cyclopropyl-2-oxoimidazol-1-yl)methyl-trifluoroboranuide.
What is the SMILES notation for (3-cyclopropyl-2-oxoimidazol-1-yl)methyl-trifluoroboranuide?
The canonical SMILES for (3-cyclopropyl-2-oxoimidazol-1-yl)methyl-trifluoroboranuide is O=c1n(C[B-](F)(F)F)ccn1C1CC1.
What is the InChIKey of (3-cyclopropyl-2-oxoimidazol-1-yl)methyl-trifluoroboranuide?
The InChIKey is GYIOQALFFSUVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BF3N2O/c9-8(10,11)5-12-3-4-13(7(12)14)6-1-2-6/h3-4,6H,1-2,5H2/q-1.
What are the key properties of (3-cyclopropyl-2-oxoimidazol-1-yl)methyl-trifluoroboranuide?
(3-cyclopropyl-2-oxoimidazol-1-yl)methyl-trifluoroboranuide has a molecular weight of 204.97 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-2-oxoimidazol-1-yl)methyl-trifluoroboranuide is sourced from PubChem (CID 80582870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).