2-[1-(4-fluorophenoxy)ethyl]-4,6-dimethyl-1H-benzimidazole

C17H17FN2O — CID 50754089

IUPAC2-[1-(4-fluorophenoxy)ethyl]-4,6-dimethyl-1H-benzimidazole
SMILESCc1cc(C)c2nc(C(C)Oc3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C17H17FN2O/c1-10-8-11(2)16-15(9-10)19-17(20-16)12(3)21-14-6-4-13(18)5-7-14/h4-9,12H,1-3H3,(H,19,20)
InChIKeySWDPDLUAPYHZLV-UHFFFAOYSA-N
MW284.33 g/mol
LogP4.46
Rot. Bonds3

About 2-[1-(4-fluorophenoxy)ethyl]-4,6-dimethyl-1H-benzimidazole

2-[1-(4-fluorophenoxy)ethyl]-4,6-dimethyl-1H-benzimidazole (PubChem CID 50754089) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-[1-(4-fluorophenoxy)ethyl]-4,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-(4-fluorophenoxy)ethyl]-4,6-dimethyl-1H-benzimidazole
PubChem CID50754089
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name2-[1-(4-fluorophenoxy)ethyl]-4,6-dimethyl-1H-benzimidazole
SMILESCc1cc(C)c2nc(C(C)Oc3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C17H17FN2O/c1-10-8-11(2)16-15(9-10)19-17(20-16)12(3)21-14-6-4-13(18)5-7-14/h4-9,12H,1-3H3,(H,19,20)
InChIKeySWDPDLUAPYHZLV-UHFFFAOYSA-N
XLogP4.46
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenoxy)ethyl]-4,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-[1-(4-fluorophenoxy)ethyl]-4,6-dimethyl-1H-benzimidazole (CID 50754089) is 2-[1-(4-fluorophenoxy)ethyl]-4,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-[1-(4-fluorophenoxy)ethyl]-4,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-[1-(4-fluorophenoxy)ethyl]-4,6-dimethyl-1H-benzimidazole is Cc1cc(C)c2nc(C(C)Oc3ccc(F)cc3)[nH]c2c1.
What is the InChIKey of 2-[1-(4-fluorophenoxy)ethyl]-4,6-dimethyl-1H-benzimidazole?
The InChIKey is SWDPDLUAPYHZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-10-8-11(2)16-15(9-10)19-17(20-16)12(3)21-14-6-4-13(18)5-7-14/h4-9,12H,1-3H3,(H,19,20).
What are the key properties of 2-[1-(4-fluorophenoxy)ethyl]-4,6-dimethyl-1H-benzimidazole?
2-[1-(4-fluorophenoxy)ethyl]-4,6-dimethyl-1H-benzimidazole has a molecular weight of 284.33 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenoxy)ethyl]-4,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 50754089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).