1-[4-(2-methylphenoxy)butyl]benzimidazole

C18H20N2O — CID 2129703

IUPAC1-[4-(2-methylphenoxy)butyl]benzimidazole
SMILESCc1ccccc1OCCCCn1cnc2ccccc21
InChIInChI=1S/C18H20N2O/c1-15-8-2-5-11-18(15)21-13-7-6-12-20-14-19-16-9-3-4-10-17(16)20/h2-5,8-11,14H,6-7,12-13H2,1H3
InChIKeyPUSUWPZWRUXDLX-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.20
Rot. Bonds6

About 1-[4-(2-methylphenoxy)butyl]benzimidazole

1-[4-(2-methylphenoxy)butyl]benzimidazole (PubChem CID 2129703) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[4-(2-methylphenoxy)butyl]benzimidazole.

Molecular Properties

Compound Name1-[4-(2-methylphenoxy)butyl]benzimidazole
PubChem CID2129703
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-[4-(2-methylphenoxy)butyl]benzimidazole
SMILESCc1ccccc1OCCCCn1cnc2ccccc21
InChIInChI=1S/C18H20N2O/c1-15-8-2-5-11-18(15)21-13-7-6-12-20-14-19-16-9-3-4-10-17(16)20/h2-5,8-11,14H,6-7,12-13H2,1H3
InChIKeyPUSUWPZWRUXDLX-UHFFFAOYSA-N
XLogP4.20
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylphenoxy)butyl]benzimidazole?
The IUPAC name of 1-[4-(2-methylphenoxy)butyl]benzimidazole (CID 2129703) is 1-[4-(2-methylphenoxy)butyl]benzimidazole.
What is the SMILES notation for 1-[4-(2-methylphenoxy)butyl]benzimidazole?
The canonical SMILES for 1-[4-(2-methylphenoxy)butyl]benzimidazole is Cc1ccccc1OCCCCn1cnc2ccccc21.
What is the InChIKey of 1-[4-(2-methylphenoxy)butyl]benzimidazole?
The InChIKey is PUSUWPZWRUXDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-15-8-2-5-11-18(15)21-13-7-6-12-20-14-19-16-9-3-4-10-17(16)20/h2-5,8-11,14H,6-7,12-13H2,1H3.
What are the key properties of 1-[4-(2-methylphenoxy)butyl]benzimidazole?
1-[4-(2-methylphenoxy)butyl]benzimidazole has a molecular weight of 280.37 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylphenoxy)butyl]benzimidazole is sourced from PubChem (CID 2129703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).