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

C16H14F2N2O — CID 137011251

IUPAC4-fluoro-2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol
SMILESCC(C)n1c(-c2cc(F)ccc2O)nc2c(F)cccc21
InChIInChI=1S/C16H14F2N2O/c1-9(2)20-13-5-3-4-12(18)15(13)19-16(20)11-8-10(17)6-7-14(11)21/h3-9,21H,1-2H3
InChIKeyFAUIGQHCLAJDCT-UHFFFAOYSA-N
MW288.30 g/mol
LogP4.27
Rot. Bonds2

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

4-fluoro-2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol (PubChem CID 137011251) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-fluoro-2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol.

Molecular Properties

Compound Name4-fluoro-2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol
PubChem CID137011251
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name4-fluoro-2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol
SMILESCC(C)n1c(-c2cc(F)ccc2O)nc2c(F)cccc21
InChIInChI=1S/C16H14F2N2O/c1-9(2)20-13-5-3-4-12(18)15(13)19-16(20)11-8-10(17)6-7-14(11)21/h3-9,21H,1-2H3
InChIKeyFAUIGQHCLAJDCT-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-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136751576
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-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,4-diol
CID 136903733
2-(2-fluorophenyl)-1-propan-2-ylbenzimidazol-4-amine
CID 82067863
5-fluoro-2-(4-fluoro-1-propylbenzimidazol-2-yl)phenol
CID 136789665
4-bromo-2-(4-fluorophenyl)-1-propan-2-ylbenzimidazole
CID 58065749
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-6-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136712554
4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol
CID 60784171
2-amino-1-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanol
CID 66165047

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol?
The IUPAC name of 4-fluoro-2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol (CID 137011251) is 4-fluoro-2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol.
What is the SMILES notation for 4-fluoro-2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol?
The canonical SMILES for 4-fluoro-2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol is CC(C)n1c(-c2cc(F)ccc2O)nc2c(F)cccc21.
What is the InChIKey of 4-fluoro-2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol?
The InChIKey is FAUIGQHCLAJDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c1-9(2)20-13-5-3-4-12(18)15(13)19-16(20)11-8-10(17)6-7-14(11)21/h3-9,21H,1-2H3.
What are the key properties of 4-fluoro-2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol?
4-fluoro-2-(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 4-fluoro-2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol is sourced from PubChem (CID 137011251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).