2-(7-chloro-1-ethylbenzimidazol-2-yl)-5-fluorophenol

C15H12ClFN2O — CID 136789674

IUPAC2-(7-chloro-1-ethylbenzimidazol-2-yl)-5-fluorophenol
SMILESCCn1c(-c2ccc(F)cc2O)nc2cccc(Cl)c21
InChIInChI=1S/C15H12ClFN2O/c1-2-19-14-11(16)4-3-5-12(14)18-15(19)10-7-6-9(17)8-13(10)20/h3-8,20H,2H2,1H3
InChIKeyGWWRGOGNVJYSBV-UHFFFAOYSA-N
MW290.73 g/mol
LogP4.22
Rot. Bonds2

About 2-(7-chloro-1-ethylbenzimidazol-2-yl)-5-fluorophenol

2-(7-chloro-1-ethylbenzimidazol-2-yl)-5-fluorophenol (PubChem CID 136789674) has the molecular formula C15H12ClFN2O and a molecular weight of 290.73 g/mol. Its IUPAC name is 2-(7-chloro-1-ethylbenzimidazol-2-yl)-5-fluorophenol.

Molecular Properties

Compound Name2-(7-chloro-1-ethylbenzimidazol-2-yl)-5-fluorophenol
PubChem CID136789674
Molecular FormulaC15H12ClFN2O
Molecular Weight290.73 g/mol
Exact Mass290.06
IUPAC Name2-(7-chloro-1-ethylbenzimidazol-2-yl)-5-fluorophenol
SMILESCCn1c(-c2ccc(F)cc2O)nc2cccc(Cl)c21
InChIInChI=1S/C15H12ClFN2O/c1-2-19-14-11(16)4-3-5-12(14)18-15(19)10-7-6-9(17)8-13(10)20/h3-8,20H,2H2,1H3
InChIKeyGWWRGOGNVJYSBV-UHFFFAOYSA-N
XLogP4.22
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-fluorophenol
CID 136789678
2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-5-fluorophenol
CID 136789710
3-(7-chloro-1-ethylbenzimidazol-2-yl)thiophen-2-amine
CID 60786421
3-(7-chloro-1-ethylbenzimidazol-2-yl)-5-methylthiophen-2-amine
CID 63618561
3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol
CID 136928271
(1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethanol
CID 94958065
5-(7-chloro-1-ethylbenzimidazol-2-yl)pyridin-3-amine
CID 55166004
2-amino-4-(7-chloro-1-propylbenzimidazol-2-yl)phenol
CID 136872106
7-chloro-2-[(1S)-1-chloroethyl]-1-ethylbenzimidazole
CID 93303287
2-(1-ethyl-5-fluorobenzimidazol-2-yl)benzene-1,4-diol
CID 136903729
4-chloro-3-(5-fluoro-1-propylbenzimidazol-2-yl)phenol
CID 106502308
5-fluoro-2-(4-fluoro-1-propylbenzimidazol-2-yl)phenol
CID 136789665

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1-ethylbenzimidazol-2-yl)-5-fluorophenol?
The IUPAC name of 2-(7-chloro-1-ethylbenzimidazol-2-yl)-5-fluorophenol (CID 136789674) is 2-(7-chloro-1-ethylbenzimidazol-2-yl)-5-fluorophenol.
What is the SMILES notation for 2-(7-chloro-1-ethylbenzimidazol-2-yl)-5-fluorophenol?
The canonical SMILES for 2-(7-chloro-1-ethylbenzimidazol-2-yl)-5-fluorophenol is CCn1c(-c2ccc(F)cc2O)nc2cccc(Cl)c21.
What is the InChIKey of 2-(7-chloro-1-ethylbenzimidazol-2-yl)-5-fluorophenol?
The InChIKey is GWWRGOGNVJYSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O/c1-2-19-14-11(16)4-3-5-12(14)18-15(19)10-7-6-9(17)8-13(10)20/h3-8,20H,2H2,1H3.
What are the key properties of 2-(7-chloro-1-ethylbenzimidazol-2-yl)-5-fluorophenol?
2-(7-chloro-1-ethylbenzimidazol-2-yl)-5-fluorophenol has a molecular weight of 290.73 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1-ethylbenzimidazol-2-yl)-5-fluorophenol is sourced from PubChem (CID 136789674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).