2-[(2-methoxyphenoxy)methyl]-1-methylbenzimidazole

C16H16N2O2 — CID 678646

IUPAC2-[(2-methoxyphenoxy)methyl]-1-methylbenzimidazole
SMILESCOc1ccccc1OCc1nc2ccccc2n1C
InChIInChI=1S/C16H16N2O2/c1-18-13-8-4-3-7-12(13)17-16(18)11-20-15-10-6-5-9-14(15)19-2/h3-10H,11H2,1-2H3
InChIKeyJWVLAFDECSEOAL-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.16
Rot. Bonds4

About 2-[(2-methoxyphenoxy)methyl]-1-methylbenzimidazole

2-[(2-methoxyphenoxy)methyl]-1-methylbenzimidazole (PubChem CID 678646) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[(2-methoxyphenoxy)methyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[(2-methoxyphenoxy)methyl]-1-methylbenzimidazole
PubChem CID678646
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-[(2-methoxyphenoxy)methyl]-1-methylbenzimidazole
SMILESCOc1ccccc1OCc1nc2ccccc2n1C
InChIInChI=1S/C16H16N2O2/c1-18-13-8-4-3-7-12(13)17-16(18)11-20-15-10-6-5-9-14(15)19-2/h3-10H,11H2,1-2H3
InChIKeyJWVLAFDECSEOAL-UHFFFAOYSA-N
XLogP3.16
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenoxy)methyl]-1-methylbenzimidazole?
The IUPAC name of 2-[(2-methoxyphenoxy)methyl]-1-methylbenzimidazole (CID 678646) is 2-[(2-methoxyphenoxy)methyl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[(2-methoxyphenoxy)methyl]-1-methylbenzimidazole?
The canonical SMILES for 2-[(2-methoxyphenoxy)methyl]-1-methylbenzimidazole is COc1ccccc1OCc1nc2ccccc2n1C.
What is the InChIKey of 2-[(2-methoxyphenoxy)methyl]-1-methylbenzimidazole?
The InChIKey is JWVLAFDECSEOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-18-13-8-4-3-7-12(13)17-16(18)11-20-15-10-6-5-9-14(15)19-2/h3-10H,11H2,1-2H3.
What are the key properties of 2-[(2-methoxyphenoxy)methyl]-1-methylbenzimidazole?
2-[(2-methoxyphenoxy)methyl]-1-methylbenzimidazole has a molecular weight of 268.32 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenoxy)methyl]-1-methylbenzimidazole is sourced from PubChem (CID 678646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).