1-methyl-2-(phenoxymethyl)benzimidazole

C15H14N2O — CID 678003

IUPAC1-methyl-2-(phenoxymethyl)benzimidazole
SMILESCn1c(COc2ccccc2)nc2ccccc21
InChIInChI=1S/C15H14N2O/c1-17-14-10-6-5-9-13(14)16-15(17)11-18-12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyDOTIMNZXXZGBPP-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.15
Rot. Bonds3

About 1-methyl-2-(phenoxymethyl)benzimidazole

1-methyl-2-(phenoxymethyl)benzimidazole (PubChem CID 678003) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-methyl-2-(phenoxymethyl)benzimidazole.

Molecular Properties

Compound Name1-methyl-2-(phenoxymethyl)benzimidazole
PubChem CID678003
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name1-methyl-2-(phenoxymethyl)benzimidazole
SMILESCn1c(COc2ccccc2)nc2ccccc21
InChIInChI=1S/C15H14N2O/c1-17-14-10-6-5-9-13(14)16-15(17)11-18-12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyDOTIMNZXXZGBPP-UHFFFAOYSA-N
XLogP3.15
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Etodesnitazene
CID 149797386
Metodesnitazene
CID 26412
2-[(4-chlorophenoxy)methyl]-1H-1,3-benzodiazole
CID 393988
1-(4-methoxybenzyl)-2-(4-methoxyphenyl)-1H-benzo(d)imidazole
CID 746182
1-Ethyl-2-(2-methoxy-phenoxymethyl)-1H-benzoimidazole
CID 687911
2-[(4-methylphenoxy)methyl]-1H-benzimidazole
CID 699923
6-Methoxy-1-phenyl-1H-benzimidazole
CID 652633
1H-Benzimidazole, 5-methoxy-1-phenyl-
CID 5328466
5-ethoxy-1-phenyl-1H-1,3-benzodiazole
CID 5328497
1-phenyl-5-propoxy-1H-1,3-benzodiazole
CID 5328498
1-phenyl-5-(prop-2-en-1-yloxy)-1H-1,3-benzodiazole
CID 5328501
5-Substituted 1-Phenylbenzimidazole 15
CID 5328505

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(phenoxymethyl)benzimidazole?
The IUPAC name of 1-methyl-2-(phenoxymethyl)benzimidazole (CID 678003) is 1-methyl-2-(phenoxymethyl)benzimidazole.
What is the SMILES notation for 1-methyl-2-(phenoxymethyl)benzimidazole?
The canonical SMILES for 1-methyl-2-(phenoxymethyl)benzimidazole is Cn1c(COc2ccccc2)nc2ccccc21.
What is the InChIKey of 1-methyl-2-(phenoxymethyl)benzimidazole?
The InChIKey is DOTIMNZXXZGBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-17-14-10-6-5-9-13(14)16-15(17)11-18-12-7-3-2-4-8-12/h2-10H,11H2,1H3.
What are the key properties of 1-methyl-2-(phenoxymethyl)benzimidazole?
1-methyl-2-(phenoxymethyl)benzimidazole has a molecular weight of 238.29 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(phenoxymethyl)benzimidazole is sourced from PubChem (CID 678003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).