1-[2-(4-fluorophenoxy)ethyl]-2-methylbenzimidazole

C16H15FN2O — CID 761921

IUPAC1-[2-(4-fluorophenoxy)ethyl]-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1CCOc1ccc(F)cc1
InChIInChI=1S/C16H15FN2O/c1-12-18-15-4-2-3-5-16(15)19(12)10-11-20-14-8-6-13(17)7-9-14/h2-9H,10-11H2,1H3
InChIKeyRZZOCRPOZNQGBC-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.56
Rot. Bonds4

About 1-[2-(4-fluorophenoxy)ethyl]-2-methylbenzimidazole

1-[2-(4-fluorophenoxy)ethyl]-2-methylbenzimidazole (PubChem CID 761921) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-[2-(4-fluorophenoxy)ethyl]-2-methylbenzimidazole.

Molecular Properties

Compound Name1-[2-(4-fluorophenoxy)ethyl]-2-methylbenzimidazole
PubChem CID761921
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name1-[2-(4-fluorophenoxy)ethyl]-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1CCOc1ccc(F)cc1
InChIInChI=1S/C16H15FN2O/c1-12-18-15-4-2-3-5-16(15)19(12)10-11-20-14-8-6-13(17)7-9-14/h2-9H,10-11H2,1H3
InChIKeyRZZOCRPOZNQGBC-UHFFFAOYSA-N
XLogP3.56
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]-2-methylbenzimidazole?
The IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]-2-methylbenzimidazole (CID 761921) is 1-[2-(4-fluorophenoxy)ethyl]-2-methylbenzimidazole.
What is the SMILES notation for 1-[2-(4-fluorophenoxy)ethyl]-2-methylbenzimidazole?
The canonical SMILES for 1-[2-(4-fluorophenoxy)ethyl]-2-methylbenzimidazole is Cc1nc2ccccc2n1CCOc1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenoxy)ethyl]-2-methylbenzimidazole?
The InChIKey is RZZOCRPOZNQGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-12-18-15-4-2-3-5-16(15)19(12)10-11-20-14-8-6-13(17)7-9-14/h2-9H,10-11H2,1H3.
What are the key properties of 1-[2-(4-fluorophenoxy)ethyl]-2-methylbenzimidazole?
1-[2-(4-fluorophenoxy)ethyl]-2-methylbenzimidazole has a molecular weight of 270.31 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenoxy)ethyl]-2-methylbenzimidazole is sourced from PubChem (CID 761921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).