6-methoxy-2-methyl-1-(4-methylphenyl)benzimidazole

C16H16N2O — CID 155921327

IUPAC6-methoxy-2-methyl-1-(4-methylphenyl)benzimidazole
SMILESCOc1ccc2nc(C)n(-c3ccc(C)cc3)c2c1
InChIInChI=1S/C16H16N2O/c1-11-4-6-13(7-5-11)18-12(2)17-15-9-8-14(19-3)10-16(15)18/h4-10H,1-3H3
InChIKeyINYNWXCSJNYWEL-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.65
Rot. Bonds2

About 6-methoxy-2-methyl-1-(4-methylphenyl)benzimidazole

6-methoxy-2-methyl-1-(4-methylphenyl)benzimidazole (PubChem CID 155921327) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-methoxy-2-methyl-1-(4-methylphenyl)benzimidazole.

Molecular Properties

Compound Name6-methoxy-2-methyl-1-(4-methylphenyl)benzimidazole
PubChem CID155921327
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name6-methoxy-2-methyl-1-(4-methylphenyl)benzimidazole
SMILESCOc1ccc2nc(C)n(-c3ccc(C)cc3)c2c1
InChIInChI=1S/C16H16N2O/c1-11-4-6-13(7-5-11)18-12(2)17-15-9-8-14(19-3)10-16(15)18/h4-10H,1-3H3
InChIKeyINYNWXCSJNYWEL-UHFFFAOYSA-N
XLogP3.65
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-1-(4-methylphenyl)benzimidazole?
The IUPAC name of 6-methoxy-2-methyl-1-(4-methylphenyl)benzimidazole (CID 155921327) is 6-methoxy-2-methyl-1-(4-methylphenyl)benzimidazole.
What is the SMILES notation for 6-methoxy-2-methyl-1-(4-methylphenyl)benzimidazole?
The canonical SMILES for 6-methoxy-2-methyl-1-(4-methylphenyl)benzimidazole is COc1ccc2nc(C)n(-c3ccc(C)cc3)c2c1.
What is the InChIKey of 6-methoxy-2-methyl-1-(4-methylphenyl)benzimidazole?
The InChIKey is INYNWXCSJNYWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11-4-6-13(7-5-11)18-12(2)17-15-9-8-14(19-3)10-16(15)18/h4-10H,1-3H3.
What are the key properties of 6-methoxy-2-methyl-1-(4-methylphenyl)benzimidazole?
6-methoxy-2-methyl-1-(4-methylphenyl)benzimidazole has a molecular weight of 252.32 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-1-(4-methylphenyl)benzimidazole is sourced from PubChem (CID 155921327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).