1-tert-butyl-2-(3-fluorophenoxy)benzimidazole

C17H17FN2O — CID 142525844

IUPAC1-tert-butyl-2-(3-fluorophenoxy)benzimidazole
SMILESCC(C)(C)n1c(Oc2cccc(F)c2)nc2ccccc21
InChIInChI=1S/C17H17FN2O/c1-17(2,3)20-15-10-5-4-9-14(15)19-16(20)21-13-8-6-7-12(18)11-13/h4-11H,1-3H3
InChIKeyAUHMBWIOVGBTCL-UHFFFAOYSA-N
MW284.33 g/mol
LogP4.72
Rot. Bonds2

About 1-tert-butyl-2-(3-fluorophenoxy)benzimidazole

1-tert-butyl-2-(3-fluorophenoxy)benzimidazole (PubChem CID 142525844) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-tert-butyl-2-(3-fluorophenoxy)benzimidazole.

Molecular Properties

Compound Name1-tert-butyl-2-(3-fluorophenoxy)benzimidazole
PubChem CID142525844
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name1-tert-butyl-2-(3-fluorophenoxy)benzimidazole
SMILESCC(C)(C)n1c(Oc2cccc(F)c2)nc2ccccc21
InChIInChI=1S/C17H17FN2O/c1-17(2,3)20-15-10-5-4-9-14(15)19-16(20)21-13-8-6-7-12(18)11-13/h4-11H,1-3H3
InChIKeyAUHMBWIOVGBTCL-UHFFFAOYSA-N
XLogP4.72
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(3-fluorophenoxy)benzimidazole?
The IUPAC name of 1-tert-butyl-2-(3-fluorophenoxy)benzimidazole (CID 142525844) is 1-tert-butyl-2-(3-fluorophenoxy)benzimidazole.
What is the SMILES notation for 1-tert-butyl-2-(3-fluorophenoxy)benzimidazole?
The canonical SMILES for 1-tert-butyl-2-(3-fluorophenoxy)benzimidazole is CC(C)(C)n1c(Oc2cccc(F)c2)nc2ccccc21.
What is the InChIKey of 1-tert-butyl-2-(3-fluorophenoxy)benzimidazole?
The InChIKey is AUHMBWIOVGBTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-17(2,3)20-15-10-5-4-9-14(15)19-16(20)21-13-8-6-7-12(18)11-13/h4-11H,1-3H3.
What are the key properties of 1-tert-butyl-2-(3-fluorophenoxy)benzimidazole?
1-tert-butyl-2-(3-fluorophenoxy)benzimidazole has a molecular weight of 284.33 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(3-fluorophenoxy)benzimidazole is sourced from PubChem (CID 142525844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).