2-(1-ethyl-4-fluorobenzimidazol-2-yl)-3-fluorophenol

C15H12F2N2O — CID 136789662

IUPAC2-(1-ethyl-4-fluorobenzimidazol-2-yl)-3-fluorophenol
SMILESCCn1c(-c2c(O)cccc2F)nc2c(F)cccc21
InChIInChI=1S/C15H12F2N2O/c1-2-19-11-7-3-6-10(17)14(11)18-15(19)13-9(16)5-4-8-12(13)20/h3-8,20H,2H2,1H3
InChIKeyIWTVLUFDXTUSOJ-UHFFFAOYSA-N
MW274.27 g/mol
LogP3.71
Rot. Bonds2

About 2-(1-ethyl-4-fluorobenzimidazol-2-yl)-3-fluorophenol

2-(1-ethyl-4-fluorobenzimidazol-2-yl)-3-fluorophenol (PubChem CID 136789662) has the molecular formula C15H12F2N2O and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-(1-ethyl-4-fluorobenzimidazol-2-yl)-3-fluorophenol.

Molecular Properties

Compound Name2-(1-ethyl-4-fluorobenzimidazol-2-yl)-3-fluorophenol
PubChem CID136789662
Molecular FormulaC15H12F2N2O
Molecular Weight274.27 g/mol
Exact Mass274.09
IUPAC Name2-(1-ethyl-4-fluorobenzimidazol-2-yl)-3-fluorophenol
SMILESCCn1c(-c2c(O)cccc2F)nc2c(F)cccc21
InChIInChI=1S/C15H12F2N2O/c1-2-19-11-7-3-6-10(17)14(11)18-15(19)13-9(16)5-4-8-12(13)20/h3-8,20H,2H2,1H3
InChIKeyIWTVLUFDXTUSOJ-UHFFFAOYSA-N
XLogP3.71
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-(1-ethyl-4-fluorobenzimidazol-2-yl)phenol
CID 60835711
2-(1-ethyl-5-methylbenzimidazol-2-yl)-3-fluorophenol
CID 136678120
5-(1-ethyl-4-fluorobenzimidazol-2-yl)-2-fluoroaniline
CID 60835551
1-ethyl-4-fluorobenzimidazole-2-carboxylic acid
CID 124927269
5-(1-ethyl-4-fluorobenzimidazol-2-yl)pyridin-2-amine
CID 63262168
5-fluoro-2-(4-fluoro-1-propylbenzimidazol-2-yl)phenol
CID 136789665
2-[(4,5-dimethylimidazol-1-yl)methyl]-1-ethyl-4-fluorobenzimidazole
CID 56789706
3-chloro-2-(4-fluoro-1-propylbenzimidazol-2-yl)aniline
CID 63722756
2-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol
CID 80721603
2-(5-chloro-1-ethylbenzimidazol-2-yl)benzene-1,3-diol
CID 136813261
ethyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate
CID 79471310
4-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 60784474

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-4-fluorobenzimidazol-2-yl)-3-fluorophenol?
The IUPAC name of 2-(1-ethyl-4-fluorobenzimidazol-2-yl)-3-fluorophenol (CID 136789662) is 2-(1-ethyl-4-fluorobenzimidazol-2-yl)-3-fluorophenol.
What is the SMILES notation for 2-(1-ethyl-4-fluorobenzimidazol-2-yl)-3-fluorophenol?
The canonical SMILES for 2-(1-ethyl-4-fluorobenzimidazol-2-yl)-3-fluorophenol is CCn1c(-c2c(O)cccc2F)nc2c(F)cccc21.
What is the InChIKey of 2-(1-ethyl-4-fluorobenzimidazol-2-yl)-3-fluorophenol?
The InChIKey is IWTVLUFDXTUSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O/c1-2-19-11-7-3-6-10(17)14(11)18-15(19)13-9(16)5-4-8-12(13)20/h3-8,20H,2H2,1H3.
What are the key properties of 2-(1-ethyl-4-fluorobenzimidazol-2-yl)-3-fluorophenol?
2-(1-ethyl-4-fluorobenzimidazol-2-yl)-3-fluorophenol has a molecular weight of 274.27 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-4-fluorobenzimidazol-2-yl)-3-fluorophenol is sourced from PubChem (CID 136789662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).