6-(4-ethylphenoxy)-1H-benzimidazole

C15H14N2O — CID 143445574

IUPAC6-(4-ethylphenoxy)-1H-benzimidazole
SMILESCCc1ccc(Oc2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C15H14N2O/c1-2-11-3-5-12(6-4-11)18-13-7-8-14-15(9-13)17-10-16-14/h3-10H,2H2,1H3,(H,16,17)
InChIKeyQMDLZUKFDYTWKZ-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.92
Rot. Bonds3

About 6-(4-ethylphenoxy)-1H-benzimidazole

6-(4-ethylphenoxy)-1H-benzimidazole (PubChem CID 143445574) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-(4-ethylphenoxy)-1H-benzimidazole.

Molecular Properties

Compound Name6-(4-ethylphenoxy)-1H-benzimidazole
PubChem CID143445574
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name6-(4-ethylphenoxy)-1H-benzimidazole
SMILESCCc1ccc(Oc2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C15H14N2O/c1-2-11-3-5-12(6-4-11)18-13-7-8-14-15(9-13)17-10-16-14/h3-10H,2H2,1H3,(H,16,17)
InChIKeyQMDLZUKFDYTWKZ-UHFFFAOYSA-N
XLogP3.92
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenoxy)-1H-benzimidazole?
The IUPAC name of 6-(4-ethylphenoxy)-1H-benzimidazole (CID 143445574) is 6-(4-ethylphenoxy)-1H-benzimidazole.
What is the SMILES notation for 6-(4-ethylphenoxy)-1H-benzimidazole?
The canonical SMILES for 6-(4-ethylphenoxy)-1H-benzimidazole is CCc1ccc(Oc2ccc3nc[nH]c3c2)cc1.
What is the InChIKey of 6-(4-ethylphenoxy)-1H-benzimidazole?
The InChIKey is QMDLZUKFDYTWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-2-11-3-5-12(6-4-11)18-13-7-8-14-15(9-13)17-10-16-14/h3-10H,2H2,1H3,(H,16,17).
What are the key properties of 6-(4-ethylphenoxy)-1H-benzimidazole?
6-(4-ethylphenoxy)-1H-benzimidazole has a molecular weight of 238.29 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenoxy)-1H-benzimidazole is sourced from PubChem (CID 143445574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).