4-methyl-2-[(4-methylphenoxy)methyl]-1H-benzimidazole

C16H16N2O — CID 46264598

IUPAC4-methyl-2-[(4-methylphenoxy)methyl]-1H-benzimidazole
SMILESCc1ccc(OCc2nc3c(C)cccc3[nH]2)cc1
InChIInChI=1S/C16H16N2O/c1-11-6-8-13(9-7-11)19-10-15-17-14-5-3-4-12(2)16(14)18-15/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyASEXXXKIWKODMI-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.76
Rot. Bonds3

About 4-methyl-2-[(4-methylphenoxy)methyl]-1H-benzimidazole

4-methyl-2-[(4-methylphenoxy)methyl]-1H-benzimidazole (PubChem CID 46264598) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-methyl-2-[(4-methylphenoxy)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name4-methyl-2-[(4-methylphenoxy)methyl]-1H-benzimidazole
PubChem CID46264598
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name4-methyl-2-[(4-methylphenoxy)methyl]-1H-benzimidazole
SMILESCc1ccc(OCc2nc3c(C)cccc3[nH]2)cc1
InChIInChI=1S/C16H16N2O/c1-11-6-8-13(9-7-11)19-10-15-17-14-5-3-4-12(2)16(14)18-15/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyASEXXXKIWKODMI-UHFFFAOYSA-N
XLogP3.76
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methylphenoxy)methyl]-1H-benzimidazole?
The IUPAC name of 4-methyl-2-[(4-methylphenoxy)methyl]-1H-benzimidazole (CID 46264598) is 4-methyl-2-[(4-methylphenoxy)methyl]-1H-benzimidazole.
What is the SMILES notation for 4-methyl-2-[(4-methylphenoxy)methyl]-1H-benzimidazole?
The canonical SMILES for 4-methyl-2-[(4-methylphenoxy)methyl]-1H-benzimidazole is Cc1ccc(OCc2nc3c(C)cccc3[nH]2)cc1.
What is the InChIKey of 4-methyl-2-[(4-methylphenoxy)methyl]-1H-benzimidazole?
The InChIKey is ASEXXXKIWKODMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11-6-8-13(9-7-11)19-10-15-17-14-5-3-4-12(2)16(14)18-15/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of 4-methyl-2-[(4-methylphenoxy)methyl]-1H-benzimidazole?
4-methyl-2-[(4-methylphenoxy)methyl]-1H-benzimidazole has a molecular weight of 252.32 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methylphenoxy)methyl]-1H-benzimidazole is sourced from PubChem (CID 46264598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).