trifluoro-[3-(2-phenylimidazol-1-yl)prop-1-en-2-yl]boranuide

C12H11BF3N2- — CID 106746348

IUPACtrifluoro-[3-(2-phenylimidazol-1-yl)prop-1-en-2-yl]boranuide
SMILESC=C(Cn1ccnc1-c1ccccc1)[B-](F)(F)F
InChIInChI=1S/C12H11BF3N2/c1-10(13(14,15)16)9-18-8-7-17-12(18)11-5-3-2-4-6-11/h2-8H,1,9H2/q-1
InChIKeyYSPOFVQBGDZRNB-UHFFFAOYSA-N
MW251.04 g/mol
LogP3.49
Rot. Bonds4

About trifluoro-[3-(2-phenylimidazol-1-yl)prop-1-en-2-yl]boranuide

trifluoro-[3-(2-phenylimidazol-1-yl)prop-1-en-2-yl]boranuide (PubChem CID 106746348) has the molecular formula C12H11BF3N2- and a molecular weight of 251.04 g/mol. Its IUPAC name is trifluoro-[3-(2-phenylimidazol-1-yl)prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Nametrifluoro-[3-(2-phenylimidazol-1-yl)prop-1-en-2-yl]boranuide
PubChem CID106746348
Molecular FormulaC12H11BF3N2-
Molecular Weight251.04 g/mol
Exact Mass251.10
IUPAC Nametrifluoro-[3-(2-phenylimidazol-1-yl)prop-1-en-2-yl]boranuide
SMILESC=C(Cn1ccnc1-c1ccccc1)[B-](F)(F)F
InChIInChI=1S/C12H11BF3N2/c1-10(13(14,15)16)9-18-8-7-17-12(18)11-5-3-2-4-6-11/h2-8H,1,9H2/q-1
InChIKeyYSPOFVQBGDZRNB-UHFFFAOYSA-N
XLogP3.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.04
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trifluoro-[3-(2-phenylimidazol-1-yl)prop-1-en-2-yl]boranuide 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

2-(2-phenylimidazol-1-yl)acetic acid
CID 3145945
2-(2-phenylimidazol-1-yl)ethanethioamide
CID 61069936
2-(2-phenylimidazol-1-yl)acetate
CID 7446830
1-phenyl-2-(2-phenylimidazol-1-yl)ethanone
CID 61069382
1-(3-bromopropyl)-2-phenylimidazole
CID 61069567
1-(2-phenylimidazol-1-yl)butan-2-ol
CID 58743669
1-(2-phenylimidazol-1-yl)propan-2-ol
CID 58743625
2-methyl-1-(2-phenylimidazol-1-yl)butan-2-ol
CID 114495862
2-(2-phenylimidazol-1-yl)acetonitrile
CID 58743635
1-(2,2-dimethylpropyl)-2-phenylimidazole
CID 21060212
1-(2-phenylimidazol-1-yl)pentan-2-ol
CID 62043887
1-[2-(2-phenylimidazol-1-yl)acetyl]piperidin-4-one
CID 61071787

Frequently Asked Questions

What is the IUPAC name of trifluoro-[3-(2-phenylimidazol-1-yl)prop-1-en-2-yl]boranuide?
The IUPAC name of trifluoro-[3-(2-phenylimidazol-1-yl)prop-1-en-2-yl]boranuide (CID 106746348) is trifluoro-[3-(2-phenylimidazol-1-yl)prop-1-en-2-yl]boranuide.
What is the SMILES notation for trifluoro-[3-(2-phenylimidazol-1-yl)prop-1-en-2-yl]boranuide?
The canonical SMILES for trifluoro-[3-(2-phenylimidazol-1-yl)prop-1-en-2-yl]boranuide is C=C(Cn1ccnc1-c1ccccc1)[B-](F)(F)F.
What is the InChIKey of trifluoro-[3-(2-phenylimidazol-1-yl)prop-1-en-2-yl]boranuide?
The InChIKey is YSPOFVQBGDZRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BF3N2/c1-10(13(14,15)16)9-18-8-7-17-12(18)11-5-3-2-4-6-11/h2-8H,1,9H2/q-1.
What are the key properties of trifluoro-[3-(2-phenylimidazol-1-yl)prop-1-en-2-yl]boranuide?
trifluoro-[3-(2-phenylimidazol-1-yl)prop-1-en-2-yl]boranuide has a molecular weight of 251.04 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[3-(2-phenylimidazol-1-yl)prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106746348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).