4-[1-(4-fluorophenoxy)ethyl]-2-methyl-1H-benzimidazole

C16H15FN2O — CID 142770245

IUPAC4-[1-(4-fluorophenoxy)ethyl]-2-methyl-1H-benzimidazole
SMILESCc1nc2c(C(C)Oc3ccc(F)cc3)cccc2[nH]1
InChIInChI=1S/C16H15FN2O/c1-10(20-13-8-6-12(17)7-9-13)14-4-3-5-15-16(14)19-11(2)18-15/h3-10H,1-2H3,(H,18,19)
InChIKeyAFDGPCIFAWQXIB-UHFFFAOYSA-N
MW270.31 g/mol
LogP4.15
Rot. Bonds3

About 4-[1-(4-fluorophenoxy)ethyl]-2-methyl-1H-benzimidazole

4-[1-(4-fluorophenoxy)ethyl]-2-methyl-1H-benzimidazole (PubChem CID 142770245) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 4-[1-(4-fluorophenoxy)ethyl]-2-methyl-1H-benzimidazole.

Molecular Properties

Compound Name4-[1-(4-fluorophenoxy)ethyl]-2-methyl-1H-benzimidazole
PubChem CID142770245
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name4-[1-(4-fluorophenoxy)ethyl]-2-methyl-1H-benzimidazole
SMILESCc1nc2c(C(C)Oc3ccc(F)cc3)cccc2[nH]1
InChIInChI=1S/C16H15FN2O/c1-10(20-13-8-6-12(17)7-9-13)14-4-3-5-15-16(14)19-11(2)18-15/h3-10H,1-2H3,(H,18,19)
InChIKeyAFDGPCIFAWQXIB-UHFFFAOYSA-N
XLogP4.15
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenoxy)ethyl]-2-methyl-1H-benzimidazole?
The IUPAC name of 4-[1-(4-fluorophenoxy)ethyl]-2-methyl-1H-benzimidazole (CID 142770245) is 4-[1-(4-fluorophenoxy)ethyl]-2-methyl-1H-benzimidazole.
What is the SMILES notation for 4-[1-(4-fluorophenoxy)ethyl]-2-methyl-1H-benzimidazole?
The canonical SMILES for 4-[1-(4-fluorophenoxy)ethyl]-2-methyl-1H-benzimidazole is Cc1nc2c(C(C)Oc3ccc(F)cc3)cccc2[nH]1.
What is the InChIKey of 4-[1-(4-fluorophenoxy)ethyl]-2-methyl-1H-benzimidazole?
The InChIKey is AFDGPCIFAWQXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-10(20-13-8-6-12(17)7-9-13)14-4-3-5-15-16(14)19-11(2)18-15/h3-10H,1-2H3,(H,18,19).
What are the key properties of 4-[1-(4-fluorophenoxy)ethyl]-2-methyl-1H-benzimidazole?
4-[1-(4-fluorophenoxy)ethyl]-2-methyl-1H-benzimidazole has a molecular weight of 270.31 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenoxy)ethyl]-2-methyl-1H-benzimidazole is sourced from PubChem (CID 142770245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).