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

C15H14N2O — CID 709499

IUPAC2-[(2-methylphenoxy)methyl]-1H-benzimidazole
SMILESCc1ccccc1OCc1nc2ccccc2[nH]1
InChIInChI=1S/C15H14N2O/c1-11-6-2-5-9-14(11)18-10-15-16-12-7-3-4-8-13(12)17-15/h2-9H,10H2,1H3,(H,16,17)
InChIKeyBNZRNEVZOMLBKN-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.45
Rot. Bonds3

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

2-[(2-methylphenoxy)methyl]-1H-benzimidazole (PubChem CID 709499) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[(2-methylphenoxy)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2-methylphenoxy)methyl]-1H-benzimidazole
PubChem CID709499
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-[(2-methylphenoxy)methyl]-1H-benzimidazole
SMILESCc1ccccc1OCc1nc2ccccc2[nH]1
InChIInChI=1S/C15H14N2O/c1-11-6-2-5-9-14(11)18-10-15-16-12-7-3-4-8-13(12)17-15/h2-9H,10H2,1H3,(H,16,17)
InChIKeyBNZRNEVZOMLBKN-UHFFFAOYSA-N
XLogP3.45
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenoxy)methyl]-1H-benzimidazole?
The IUPAC name of 2-[(2-methylphenoxy)methyl]-1H-benzimidazole (CID 709499) is 2-[(2-methylphenoxy)methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(2-methylphenoxy)methyl]-1H-benzimidazole?
The canonical SMILES for 2-[(2-methylphenoxy)methyl]-1H-benzimidazole is Cc1ccccc1OCc1nc2ccccc2[nH]1.
What is the InChIKey of 2-[(2-methylphenoxy)methyl]-1H-benzimidazole?
The InChIKey is BNZRNEVZOMLBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-11-6-2-5-9-14(11)18-10-15-16-12-7-3-4-8-13(12)17-15/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of 2-[(2-methylphenoxy)methyl]-1H-benzimidazole?
2-[(2-methylphenoxy)methyl]-1H-benzimidazole has a molecular weight of 238.29 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenoxy)methyl]-1H-benzimidazole is sourced from PubChem (CID 709499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).