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

C16H16N2O — CID 678642

IUPAC1-methyl-2-[(2-methylphenoxy)methyl]benzimidazole
SMILESCc1ccccc1OCc1nc2ccccc2n1C
InChIInChI=1S/C16H16N2O/c1-12-7-3-6-10-15(12)19-11-16-17-13-8-4-5-9-14(13)18(16)2/h3-10H,11H2,1-2H3
InChIKeyDDQKTTYHFWYIDN-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.46
Rot. Bonds3

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

1-methyl-2-[(2-methylphenoxy)methyl]benzimidazole (PubChem CID 678642) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-methyl-2-[(2-methylphenoxy)methyl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[(2-methylphenoxy)methyl]benzimidazole
PubChem CID678642
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1-methyl-2-[(2-methylphenoxy)methyl]benzimidazole
SMILESCc1ccccc1OCc1nc2ccccc2n1C
InChIInChI=1S/C16H16N2O/c1-12-7-3-6-10-15(12)19-11-16-17-13-8-4-5-9-14(13)18(16)2/h3-10H,11H2,1-2H3
InChIKeyDDQKTTYHFWYIDN-UHFFFAOYSA-N
XLogP3.46
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(2-methylphenoxy)methyl]benzimidazole?
The IUPAC name of 1-methyl-2-[(2-methylphenoxy)methyl]benzimidazole (CID 678642) is 1-methyl-2-[(2-methylphenoxy)methyl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[(2-methylphenoxy)methyl]benzimidazole?
The canonical SMILES for 1-methyl-2-[(2-methylphenoxy)methyl]benzimidazole is Cc1ccccc1OCc1nc2ccccc2n1C.
What is the InChIKey of 1-methyl-2-[(2-methylphenoxy)methyl]benzimidazole?
The InChIKey is DDQKTTYHFWYIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-12-7-3-6-10-15(12)19-11-16-17-13-8-4-5-9-14(13)18(16)2/h3-10H,11H2,1-2H3.
What are the key properties of 1-methyl-2-[(2-methylphenoxy)methyl]benzimidazole?
1-methyl-2-[(2-methylphenoxy)methyl]benzimidazole has a molecular weight of 252.32 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(2-methylphenoxy)methyl]benzimidazole is sourced from PubChem (CID 678642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).