3-fluoro-4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol

C16H14F2N2O — CID 136751576

IUPAC3-fluoro-4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol
SMILESCC(C)n1c(-c2ccc(O)cc2F)nc2c(F)cccc21
InChIInChI=1S/C16H14F2N2O/c1-9(2)20-14-5-3-4-12(17)15(14)19-16(20)11-7-6-10(21)8-13(11)18/h3-9,21H,1-2H3
InChIKeyVBLVKKPZZYXDAV-UHFFFAOYSA-N
MW288.30 g/mol
LogP4.27
Rot. Bonds2

About 3-fluoro-4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol

3-fluoro-4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol (PubChem CID 136751576) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-fluoro-4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol.

Molecular Properties

Compound Name3-fluoro-4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol
PubChem CID136751576
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-fluoro-4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol
SMILESCC(C)n1c(-c2ccc(O)cc2F)nc2c(F)cccc21
InChIInChI=1S/C16H14F2N2O/c1-9(2)20-14-5-3-4-12(17)15(14)19-16(20)11-7-6-10(21)8-13(11)18/h3-9,21H,1-2H3
InChIKeyVBLVKKPZZYXDAV-UHFFFAOYSA-N
XLogP4.27
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-(1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136751548
4-fluoro-2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 137011251
3-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylaniline
CID 62947060
2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline
CID 60785236
2-(2-fluorophenyl)-1-propan-2-ylbenzimidazol-4-amine
CID 82067863
4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol
CID 60784171
2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-ol
CID 177073307
4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol
CID 136903734
2-amino-1-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanol
CID 66165047
ethyl 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)acetate
CID 79475353
2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,4-diol
CID 136903733
4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-methylphenol
CID 136750866

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol?
The IUPAC name of 3-fluoro-4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol (CID 136751576) is 3-fluoro-4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol.
What is the SMILES notation for 3-fluoro-4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol?
The canonical SMILES for 3-fluoro-4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol is CC(C)n1c(-c2ccc(O)cc2F)nc2c(F)cccc21.
What is the InChIKey of 3-fluoro-4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol?
The InChIKey is VBLVKKPZZYXDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c1-9(2)20-14-5-3-4-12(17)15(14)19-16(20)11-7-6-10(21)8-13(11)18/h3-9,21H,1-2H3.
What are the key properties of 3-fluoro-4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol?
3-fluoro-4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol has a molecular weight of 288.30 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol is sourced from PubChem (CID 136751576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).