4-methyl-2-(2,4,6-trimethylphenyl)-1H-benzimidazole

C17H18N2 — CID 64723101

IUPAC4-methyl-2-(2,4,6-trimethylphenyl)-1H-benzimidazole
SMILESCc1cc(C)c(-c2nc3c(C)cccc3[nH]2)c(C)c1
InChIInChI=1S/C17H18N2/c1-10-8-12(3)15(13(4)9-10)17-18-14-7-5-6-11(2)16(14)19-17/h5-9H,1-4H3,(H,18,19)
InChIKeyGDNGGSVKUJWMEA-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.46
Rot. Bonds1

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

4-methyl-2-(2,4,6-trimethylphenyl)-1H-benzimidazole (PubChem CID 64723101) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-methyl-2-(2,4,6-trimethylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-methyl-2-(2,4,6-trimethylphenyl)-1H-benzimidazole
PubChem CID64723101
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC Name4-methyl-2-(2,4,6-trimethylphenyl)-1H-benzimidazole
SMILESCc1cc(C)c(-c2nc3c(C)cccc3[nH]2)c(C)c1
InChIInChI=1S/C17H18N2/c1-10-8-12(3)15(13(4)9-10)17-18-14-7-5-6-11(2)16(14)19-17/h5-9H,1-4H3,(H,18,19)
InChIKeyGDNGGSVKUJWMEA-UHFFFAOYSA-N
XLogP4.46
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2,4,6-trimethylphenyl)-1H-benzimidazole?
The IUPAC name of 4-methyl-2-(2,4,6-trimethylphenyl)-1H-benzimidazole (CID 64723101) is 4-methyl-2-(2,4,6-trimethylphenyl)-1H-benzimidazole.
What is the SMILES notation for 4-methyl-2-(2,4,6-trimethylphenyl)-1H-benzimidazole?
The canonical SMILES for 4-methyl-2-(2,4,6-trimethylphenyl)-1H-benzimidazole is Cc1cc(C)c(-c2nc3c(C)cccc3[nH]2)c(C)c1.
What is the InChIKey of 4-methyl-2-(2,4,6-trimethylphenyl)-1H-benzimidazole?
The InChIKey is GDNGGSVKUJWMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-10-8-12(3)15(13(4)9-10)17-18-14-7-5-6-11(2)16(14)19-17/h5-9H,1-4H3,(H,18,19).
What are the key properties of 4-methyl-2-(2,4,6-trimethylphenyl)-1H-benzimidazole?
4-methyl-2-(2,4,6-trimethylphenyl)-1H-benzimidazole has a molecular weight of 250.34 g/mol, XLogP of 4.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2,4,6-trimethylphenyl)-1H-benzimidazole is sourced from PubChem (CID 64723101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).