1-ethyl-2-[(4-methylphenoxy)methyl]benzimidazole

C17H18N2O — CID 800809

IUPAC1-ethyl-2-[(4-methylphenoxy)methyl]benzimidazole
SMILESCCn1c(COc2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C17H18N2O/c1-3-19-16-7-5-4-6-15(16)18-17(19)12-20-14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3
InChIKeyFBXDQANPSGHGFG-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.94
Rot. Bonds4

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

1-ethyl-2-[(4-methylphenoxy)methyl]benzimidazole (PubChem CID 800809) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-ethyl-2-[(4-methylphenoxy)methyl]benzimidazole.

Molecular Properties

Compound Name1-ethyl-2-[(4-methylphenoxy)methyl]benzimidazole
PubChem CID800809
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-ethyl-2-[(4-methylphenoxy)methyl]benzimidazole
SMILESCCn1c(COc2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C17H18N2O/c1-3-19-16-7-5-4-6-15(16)18-17(19)12-20-14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3
InChIKeyFBXDQANPSGHGFG-UHFFFAOYSA-N
XLogP3.94
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(4-methylphenoxy)methyl]benzimidazole?
The IUPAC name of 1-ethyl-2-[(4-methylphenoxy)methyl]benzimidazole (CID 800809) is 1-ethyl-2-[(4-methylphenoxy)methyl]benzimidazole.
What is the SMILES notation for 1-ethyl-2-[(4-methylphenoxy)methyl]benzimidazole?
The canonical SMILES for 1-ethyl-2-[(4-methylphenoxy)methyl]benzimidazole is CCn1c(COc2ccc(C)cc2)nc2ccccc21.
What is the InChIKey of 1-ethyl-2-[(4-methylphenoxy)methyl]benzimidazole?
The InChIKey is FBXDQANPSGHGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-3-19-16-7-5-4-6-15(16)18-17(19)12-20-14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3.
What are the key properties of 1-ethyl-2-[(4-methylphenoxy)methyl]benzimidazole?
1-ethyl-2-[(4-methylphenoxy)methyl]benzimidazole has a molecular weight of 266.34 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(4-methylphenoxy)methyl]benzimidazole is sourced from PubChem (CID 800809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).