1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole

C18H20N2 — CID 830343

IUPAC1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole
SMILESCc1cc(C)c(C)c(Cn2cnc3ccccc32)c1C
InChIInChI=1S/C18H20N2/c1-12-9-13(2)15(4)16(14(12)3)10-20-11-19-17-7-5-6-8-18(17)20/h5-9,11H,10H2,1-4H3
InChIKeyMGPHMZYKOGGVIZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.32
Rot. Bonds2

About 1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole

1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole (PubChem CID 830343) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole
PubChem CID830343
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole
SMILESCc1cc(C)c(C)c(Cn2cnc3ccccc32)c1C
InChIInChI=1S/C18H20N2/c1-12-9-13(2)15(4)16(14(12)3)10-20-11-19-17-7-5-6-8-18(17)20/h5-9,11H,10H2,1-4H3
InChIKeyMGPHMZYKOGGVIZ-UHFFFAOYSA-N
XLogP4.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-(benzimidazol-1-ylmethyl)-1,3-dimethylpyrazol-5-amine
CID 62209553
2-(benzimidazol-1-ylmethyl)-1-methylbenzimidazole
CID 659092
1-[(5-methyl-3-pyridinyl)methyl]benzimidazole
CID 102879192
1-[(3,5-dichlorophenyl)methyl]benzimidazole
CID 150699532
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]benzimidazole
CID 112684885
4-(benzimidazol-1-ylmethyl)phenol
CID 6498815
1-[(3-phenylphenyl)methyl]benzimidazole
CID 53320325
1-[(2-methyltriazol-4-yl)methyl]benzimidazole
CID 166839285
1-[4-(benzimidazol-1-ylmethyl)-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80728741

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole?
The IUPAC name of 1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole (CID 830343) is 1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole.
What is the SMILES notation for 1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole?
The canonical SMILES for 1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole is Cc1cc(C)c(C)c(Cn2cnc3ccccc32)c1C.
What is the InChIKey of 1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole?
The InChIKey is MGPHMZYKOGGVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-12-9-13(2)15(4)16(14(12)3)10-20-11-19-17-7-5-6-8-18(17)20/h5-9,11H,10H2,1-4H3.
What are the key properties of 1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole?
1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole has a molecular weight of 264.37 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole is sourced from PubChem (CID 830343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).