1-[(2,5-dimethylphenyl)methyl]benzimidazole

C16H16N2 — CID 830340

IUPAC1-[(2,5-dimethylphenyl)methyl]benzimidazole
SMILESCc1ccc(C)c(Cn2cnc3ccccc32)c1
InChIInChI=1S/C16H16N2/c1-12-7-8-13(2)14(9-12)10-18-11-17-15-5-3-4-6-16(15)18/h3-9,11H,10H2,1-2H3
InChIKeyKAUYGLBHEVVUBY-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.70
Rot. Bonds2

About 1-[(2,5-dimethylphenyl)methyl]benzimidazole

1-[(2,5-dimethylphenyl)methyl]benzimidazole (PubChem CID 830340) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]benzimidazole
PubChem CID830340
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name1-[(2,5-dimethylphenyl)methyl]benzimidazole
SMILESCc1ccc(C)c(Cn2cnc3ccccc32)c1
InChIInChI=1S/C16H16N2/c1-12-7-8-13(2)14(9-12)10-18-11-17-15-5-3-4-6-16(15)18/h3-9,11H,10H2,1-2H3
InChIKeyKAUYGLBHEVVUBY-UHFFFAOYSA-N
XLogP3.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl]benzimidazole?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]benzimidazole (CID 830340) is 1-[(2,5-dimethylphenyl)methyl]benzimidazole.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]benzimidazole?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]benzimidazole is Cc1ccc(C)c(Cn2cnc3ccccc32)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]benzimidazole?
The InChIKey is KAUYGLBHEVVUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-12-7-8-13(2)14(9-12)10-18-11-17-15-5-3-4-6-16(15)18/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]benzimidazole?
1-[(2,5-dimethylphenyl)methyl]benzimidazole has a molecular weight of 236.32 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)methyl]benzimidazole is sourced from PubChem (CID 830340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).