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

C17H18N2O — CID 790960

IUPAC2-methyl-1-[2-(4-methylphenoxy)ethyl]benzimidazole
SMILESCc1ccc(OCCn2c(C)nc3ccccc32)cc1
InChIInChI=1S/C17H18N2O/c1-13-7-9-15(10-8-13)20-12-11-19-14(2)18-16-5-3-4-6-17(16)19/h3-10H,11-12H2,1-2H3
InChIKeyPQJZMXBWFCAZTB-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.73
Rot. Bonds4

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

2-methyl-1-[2-(4-methylphenoxy)ethyl]benzimidazole (PubChem CID 790960) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-methyl-1-[2-(4-methylphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name2-methyl-1-[2-(4-methylphenoxy)ethyl]benzimidazole
PubChem CID790960
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-methyl-1-[2-(4-methylphenoxy)ethyl]benzimidazole
SMILESCc1ccc(OCCn2c(C)nc3ccccc32)cc1
InChIInChI=1S/C17H18N2O/c1-13-7-9-15(10-8-13)20-12-11-19-14(2)18-16-5-3-4-6-17(16)19/h3-10H,11-12H2,1-2H3
InChIKeyPQJZMXBWFCAZTB-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(4-methylphenoxy)ethyl]benzimidazole?
The IUPAC name of 2-methyl-1-[2-(4-methylphenoxy)ethyl]benzimidazole (CID 790960) is 2-methyl-1-[2-(4-methylphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 2-methyl-1-[2-(4-methylphenoxy)ethyl]benzimidazole?
The canonical SMILES for 2-methyl-1-[2-(4-methylphenoxy)ethyl]benzimidazole is Cc1ccc(OCCn2c(C)nc3ccccc32)cc1.
What is the InChIKey of 2-methyl-1-[2-(4-methylphenoxy)ethyl]benzimidazole?
The InChIKey is PQJZMXBWFCAZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-13-7-9-15(10-8-13)20-12-11-19-14(2)18-16-5-3-4-6-17(16)19/h3-10H,11-12H2,1-2H3.
What are the key properties of 2-methyl-1-[2-(4-methylphenoxy)ethyl]benzimidazole?
2-methyl-1-[2-(4-methylphenoxy)ethyl]benzimidazole has a molecular weight of 266.34 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(4-methylphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 790960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).