1-[(2,4,6-trimethylphenyl)methyl]benzimidazole

C17H18N2 — CID 955210

IUPAC1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
SMILESCc1cc(C)c(Cn2cnc3ccccc32)c(C)c1
InChIInChI=1S/C17H18N2/c1-12-8-13(2)15(14(3)9-12)10-19-11-18-16-6-4-5-7-17(16)19/h4-9,11H,10H2,1-3H3
InChIKeyKLWNFSRERRMVFY-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.01
Rot. Bonds2

About 1-[(2,4,6-trimethylphenyl)methyl]benzimidazole

1-[(2,4,6-trimethylphenyl)methyl]benzimidazole (PubChem CID 955210) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[(2,4,6-trimethylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
PubChem CID955210
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC Name1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
SMILESCc1cc(C)c(Cn2cnc3ccccc32)c(C)c1
InChIInChI=1S/C17H18N2/c1-12-8-13(2)15(14(3)9-12)10-19-11-18-16-6-4-5-7-17(16)19/h4-9,11H,10H2,1-3H3
InChIKeyKLWNFSRERRMVFY-UHFFFAOYSA-N
XLogP4.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4,6-trimethylphenyl)methyl]benzimidazole?
The IUPAC name of 1-[(2,4,6-trimethylphenyl)methyl]benzimidazole (CID 955210) is 1-[(2,4,6-trimethylphenyl)methyl]benzimidazole.
What is the SMILES notation for 1-[(2,4,6-trimethylphenyl)methyl]benzimidazole?
The canonical SMILES for 1-[(2,4,6-trimethylphenyl)methyl]benzimidazole is Cc1cc(C)c(Cn2cnc3ccccc32)c(C)c1.
What is the InChIKey of 1-[(2,4,6-trimethylphenyl)methyl]benzimidazole?
The InChIKey is KLWNFSRERRMVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-12-8-13(2)15(14(3)9-12)10-19-11-18-16-6-4-5-7-17(16)19/h4-9,11H,10H2,1-3H3.
What are the key properties of 1-[(2,4,6-trimethylphenyl)methyl]benzimidazole?
1-[(2,4,6-trimethylphenyl)methyl]benzimidazole has a molecular weight of 250.34 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4,6-trimethylphenyl)methyl]benzimidazole is sourced from PubChem (CID 955210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).