2-(4,4-difluoropyrrolidin-2-yl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,5-dihydro-1H-imidazole

C19H26BF2N3O2 — CID 123871021

IUPAC2-(4,4-difluoropyrrolidin-2-yl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,5-dihydro-1H-imidazole
SMILESCC1(C)OB(c2ccc(C3CN=C(C4CC(F)(F)CN4)N3)cc2)OC1(C)C
InChIInChI=1S/C19H26BF2N3O2/c1-17(2)18(3,4)27-20(26-17)13-7-5-12(6-8-13)15-10-23-16(25-15)14-9-19(21,22)11-24-14/h5-8,14-15,24H,9-11H2,1-4H3,(H,23,25)
InChIKeyWETISDJKGVVXQA-UHFFFAOYSA-N
MW377.24 g/mol
LogP2.03
Rot. Bonds3

About 2-(4,4-difluoropyrrolidin-2-yl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,5-dihydro-1H-imidazole

2-(4,4-difluoropyrrolidin-2-yl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 123871021) has the molecular formula C19H26BF2N3O2 and a molecular weight of 377.24 g/mol. Its IUPAC name is 2-(4,4-difluoropyrrolidin-2-yl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(4,4-difluoropyrrolidin-2-yl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,5-dihydro-1H-imidazole
PubChem CID123871021
Molecular FormulaC19H26BF2N3O2
Molecular Weight377.24 g/mol
Exact Mass377.21
IUPAC Name2-(4,4-difluoropyrrolidin-2-yl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,5-dihydro-1H-imidazole
SMILESCC1(C)OB(c2ccc(C3CN=C(C4CC(F)(F)CN4)N3)cc2)OC1(C)C
InChIInChI=1S/C19H26BF2N3O2/c1-17(2)18(3,4)27-20(26-17)13-7-5-12(6-8-13)15-10-23-16(25-15)14-9-19(21,22)11-24-14/h5-8,14-15,24H,9-11H2,1-4H3,(H,23,25)
InChIKeyWETISDJKGVVXQA-UHFFFAOYSA-N
XLogP2.03
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4,4-difluoropyrrolidin-2-yl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,5-dihydro-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (2S)-4,4-difluoro-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,5-dihydro-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 68235828
[4-[2-[(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-4,5-dihydro-1H-imidazol-5-yl]phenyl]boronic acid
CID 70956814
2-(4,4-Difluoro-1-methylpyrrolidin-2-yl)-3-methylidene-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,2-dihydropyrrole
CID 124012501
tert-butyl (2S)-2-[5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,5-dihydro-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 70879702
tert-butyl (2S)-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,5-dihydro-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 70911867
2-(4-methylpyrrolidin-2-yl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,5-dihydro-1H-imidazole
CID 144594198
N-methyl-2-pyrrolidin-1-yl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanamine
CID 144852146
2,5-dimethyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,5-dihydro-1H-imidazole
CID 163503217
2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,5-dihydro-1H-imidazol-2-yl]pyrrolidine-1-carbaldehyde
CID 173878769
2-(1-methylpyrrolidin-2-yl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,5-dihydro-1H-imidazole
CID 173878770

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropyrrolidin-2-yl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(4,4-difluoropyrrolidin-2-yl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,5-dihydro-1H-imidazole (CID 123871021) is 2-(4,4-difluoropyrrolidin-2-yl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(4,4-difluoropyrrolidin-2-yl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(4,4-difluoropyrrolidin-2-yl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,5-dihydro-1H-imidazole is CC1(C)OB(c2ccc(C3CN=C(C4CC(F)(F)CN4)N3)cc2)OC1(C)C.
What is the InChIKey of 2-(4,4-difluoropyrrolidin-2-yl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is WETISDJKGVVXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BF2N3O2/c1-17(2)18(3,4)27-20(26-17)13-7-5-12(6-8-13)15-10-23-16(25-15)14-9-19(21,22)11-24-14/h5-8,14-15,24H,9-11H2,1-4H3,(H,23,25).
What are the key properties of 2-(4,4-difluoropyrrolidin-2-yl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,5-dihydro-1H-imidazole?
2-(4,4-difluoropyrrolidin-2-yl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 377.24 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropyrrolidin-2-yl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 123871021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).