6-methoxy-2-[(3-methylphenoxy)methyl]-1H-benzimidazole

C16H16N2O2 — CID 27408365

IUPAC6-methoxy-2-[(3-methylphenoxy)methyl]-1H-benzimidazole
SMILESCOc1ccc2nc(COc3cccc(C)c3)[nH]c2c1
InChIInChI=1S/C16H16N2O2/c1-11-4-3-5-13(8-11)20-10-16-17-14-7-6-12(19-2)9-15(14)18-16/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyVFJSYAPZOOTDPH-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.46
Rot. Bonds4

About 6-methoxy-2-[(3-methylphenoxy)methyl]-1H-benzimidazole

6-methoxy-2-[(3-methylphenoxy)methyl]-1H-benzimidazole (PubChem CID 27408365) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-methoxy-2-[(3-methylphenoxy)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-methoxy-2-[(3-methylphenoxy)methyl]-1H-benzimidazole
PubChem CID27408365
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name6-methoxy-2-[(3-methylphenoxy)methyl]-1H-benzimidazole
SMILESCOc1ccc2nc(COc3cccc(C)c3)[nH]c2c1
InChIInChI=1S/C16H16N2O2/c1-11-4-3-5-13(8-11)20-10-16-17-14-7-6-12(19-2)9-15(14)18-16/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyVFJSYAPZOOTDPH-UHFFFAOYSA-N
XLogP3.46
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]aniline
CID 65017728
6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole
CID 65017876
2-[(4-methoxyphenyl)methyl]-6-methyl-1H-benzimidazole
CID 924813
2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
CID 43236517
2-[(4-methylphenoxy)methyl]-3H-benzimidazole-5-carboxylic acid
CID 84756425
6-methoxy-2-(thiophen-3-ylmethyl)-1H-benzimidazole
CID 65017413
3-[(6-bromo-1H-benzimidazol-2-yl)methoxy]aniline
CID 63747420
1-methoxy-4-[2-(3-methylphenoxy)ethoxy]benzene
CID 14047829
6-fluoro-2-[(4-fluorophenoxy)methyl]-1H-benzimidazole
CID 23613775
2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 72942363
2-hexyl-6-methoxy-1H-benzimidazole
CID 114753150
3-[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]-2-methylsulfinylpropanoic acid
CID 142019525

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[(3-methylphenoxy)methyl]-1H-benzimidazole?
The IUPAC name of 6-methoxy-2-[(3-methylphenoxy)methyl]-1H-benzimidazole (CID 27408365) is 6-methoxy-2-[(3-methylphenoxy)methyl]-1H-benzimidazole.
What is the SMILES notation for 6-methoxy-2-[(3-methylphenoxy)methyl]-1H-benzimidazole?
The canonical SMILES for 6-methoxy-2-[(3-methylphenoxy)methyl]-1H-benzimidazole is COc1ccc2nc(COc3cccc(C)c3)[nH]c2c1.
What is the InChIKey of 6-methoxy-2-[(3-methylphenoxy)methyl]-1H-benzimidazole?
The InChIKey is VFJSYAPZOOTDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11-4-3-5-13(8-11)20-10-16-17-14-7-6-12(19-2)9-15(14)18-16/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of 6-methoxy-2-[(3-methylphenoxy)methyl]-1H-benzimidazole?
6-methoxy-2-[(3-methylphenoxy)methyl]-1H-benzimidazole has a molecular weight of 268.32 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[(3-methylphenoxy)methyl]-1H-benzimidazole is sourced from PubChem (CID 27408365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).