5-fluoro-2-(4-fluoro-1-propylbenzimidazol-2-yl)phenol

C16H14F2N2O — CID 136789665

IUPAC5-fluoro-2-(4-fluoro-1-propylbenzimidazol-2-yl)phenol
SMILESCCCn1c(-c2ccc(F)cc2O)nc2c(F)cccc21
InChIInChI=1S/C16H14F2N2O/c1-2-8-20-13-5-3-4-12(18)15(13)19-16(20)11-7-6-10(17)9-14(11)21/h3-7,9,21H,2,8H2,1H3
InChIKeyNIWJLFJLTPTZBY-UHFFFAOYSA-N
MW288.30 g/mol
LogP4.10
Rot. Bonds3

About 5-fluoro-2-(4-fluoro-1-propylbenzimidazol-2-yl)phenol

5-fluoro-2-(4-fluoro-1-propylbenzimidazol-2-yl)phenol (PubChem CID 136789665) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is 5-fluoro-2-(4-fluoro-1-propylbenzimidazol-2-yl)phenol.

Molecular Properties

Compound Name5-fluoro-2-(4-fluoro-1-propylbenzimidazol-2-yl)phenol
PubChem CID136789665
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name5-fluoro-2-(4-fluoro-1-propylbenzimidazol-2-yl)phenol
SMILESCCCn1c(-c2ccc(F)cc2O)nc2c(F)cccc21
InChIInChI=1S/C16H14F2N2O/c1-2-8-20-13-5-3-4-12(18)15(13)19-16(20)11-7-6-10(17)9-14(11)21/h3-7,9,21H,2,8H2,1H3
InChIKeyNIWJLFJLTPTZBY-UHFFFAOYSA-N
XLogP4.10
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-fluoro-1-propylbenzimidazol-2-yl)benzene-1,2-diol
CID 136928272
2-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol
CID 80721603
2-(1-ethyl-4-fluorobenzimidazol-2-yl)-3-fluorophenol
CID 136789662
5-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-2-amine
CID 60784924
2-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-3-amine
CID 60784771
3-chloro-2-(4-fluoro-1-propylbenzimidazol-2-yl)aniline
CID 63722756
4-fluoro-2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 137011251
2-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,4-diol
CID 136903731
ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)propanoate
CID 79475283
2-amino-5-(1-ethyl-4-fluorobenzimidazol-2-yl)phenol
CID 60835711
ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)butanoate
CID 79480808
2-(7-chloro-1-ethylbenzimidazol-2-yl)-5-fluorophenol
CID 136789674

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-fluoro-1-propylbenzimidazol-2-yl)phenol?
The IUPAC name of 5-fluoro-2-(4-fluoro-1-propylbenzimidazol-2-yl)phenol (CID 136789665) is 5-fluoro-2-(4-fluoro-1-propylbenzimidazol-2-yl)phenol.
What is the SMILES notation for 5-fluoro-2-(4-fluoro-1-propylbenzimidazol-2-yl)phenol?
The canonical SMILES for 5-fluoro-2-(4-fluoro-1-propylbenzimidazol-2-yl)phenol is CCCn1c(-c2ccc(F)cc2O)nc2c(F)cccc21.
What is the InChIKey of 5-fluoro-2-(4-fluoro-1-propylbenzimidazol-2-yl)phenol?
The InChIKey is NIWJLFJLTPTZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c1-2-8-20-13-5-3-4-12(18)15(13)19-16(20)11-7-6-10(17)9-14(11)21/h3-7,9,21H,2,8H2,1H3.
What are the key properties of 5-fluoro-2-(4-fluoro-1-propylbenzimidazol-2-yl)phenol?
5-fluoro-2-(4-fluoro-1-propylbenzimidazol-2-yl)phenol has a molecular weight of 288.30 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-fluoro-1-propylbenzimidazol-2-yl)phenol is sourced from PubChem (CID 136789665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).