1-[[2-(methoxymethyl)phenyl]methyl]benzimidazole

C16H16N2O — CID 973915

IUPAC1-[[2-(methoxymethyl)phenyl]methyl]benzimidazole
SMILESCOCc1ccccc1Cn1cnc2ccccc21
InChIInChI=1S/C16H16N2O/c1-19-11-14-7-3-2-6-13(14)10-18-12-17-15-8-4-5-9-16(15)18/h2-9,12H,10-11H2,1H3
InChIKeyIDPAJADTIYPWLX-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.23
Rot. Bonds4

About 1-[[2-(methoxymethyl)phenyl]methyl]benzimidazole

1-[[2-(methoxymethyl)phenyl]methyl]benzimidazole (PubChem CID 973915) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-[[2-(methoxymethyl)phenyl]methyl]benzimidazole.

Molecular Properties

Compound Name1-[[2-(methoxymethyl)phenyl]methyl]benzimidazole
PubChem CID973915
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1-[[2-(methoxymethyl)phenyl]methyl]benzimidazole
SMILESCOCc1ccccc1Cn1cnc2ccccc21
InChIInChI=1S/C16H16N2O/c1-19-11-14-7-3-2-6-13(14)10-18-12-17-15-8-4-5-9-16(15)18/h2-9,12H,10-11H2,1H3
InChIKeyIDPAJADTIYPWLX-UHFFFAOYSA-N
XLogP3.23
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(methoxymethyl)phenyl]methyl]benzimidazole?
The IUPAC name of 1-[[2-(methoxymethyl)phenyl]methyl]benzimidazole (CID 973915) is 1-[[2-(methoxymethyl)phenyl]methyl]benzimidazole.
What is the SMILES notation for 1-[[2-(methoxymethyl)phenyl]methyl]benzimidazole?
The canonical SMILES for 1-[[2-(methoxymethyl)phenyl]methyl]benzimidazole is COCc1ccccc1Cn1cnc2ccccc21.
What is the InChIKey of 1-[[2-(methoxymethyl)phenyl]methyl]benzimidazole?
The InChIKey is IDPAJADTIYPWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-19-11-14-7-3-2-6-13(14)10-18-12-17-15-8-4-5-9-16(15)18/h2-9,12H,10-11H2,1H3.
What are the key properties of 1-[[2-(methoxymethyl)phenyl]methyl]benzimidazole?
1-[[2-(methoxymethyl)phenyl]methyl]benzimidazole has a molecular weight of 252.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(methoxymethyl)phenyl]methyl]benzimidazole is sourced from PubChem (CID 973915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).