1-methyl-3-(2,4,6-trimethylphenyl)-2H-benzimidazole

C17H20N2 — CID 130344574

IUPAC1-methyl-3-(2,4,6-trimethylphenyl)-2H-benzimidazole
SMILESCc1cc(C)c(N2CN(C)c3ccccc32)c(C)c1
InChIInChI=1S/C17H20N2/c1-12-9-13(2)17(14(3)10-12)19-11-18(4)15-7-5-6-8-16(15)19/h5-10H,11H2,1-4H3
InChIKeyJDJGTTRCZCSRJS-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.16
Rot. Bonds1

About 1-methyl-3-(2,4,6-trimethylphenyl)-2H-benzimidazole

1-methyl-3-(2,4,6-trimethylphenyl)-2H-benzimidazole (PubChem CID 130344574) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-methyl-3-(2,4,6-trimethylphenyl)-2H-benzimidazole.

Molecular Properties

Compound Name1-methyl-3-(2,4,6-trimethylphenyl)-2H-benzimidazole
PubChem CID130344574
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name1-methyl-3-(2,4,6-trimethylphenyl)-2H-benzimidazole
SMILESCc1cc(C)c(N2CN(C)c3ccccc32)c(C)c1
InChIInChI=1S/C17H20N2/c1-12-9-13(2)17(14(3)10-12)19-11-18(4)15-7-5-6-8-16(15)19/h5-10H,11H2,1-4H3
InChIKeyJDJGTTRCZCSRJS-UHFFFAOYSA-N
XLogP4.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2,4,6-trimethylphenyl)-2H-benzimidazole?
The IUPAC name of 1-methyl-3-(2,4,6-trimethylphenyl)-2H-benzimidazole (CID 130344574) is 1-methyl-3-(2,4,6-trimethylphenyl)-2H-benzimidazole.
What is the SMILES notation for 1-methyl-3-(2,4,6-trimethylphenyl)-2H-benzimidazole?
The canonical SMILES for 1-methyl-3-(2,4,6-trimethylphenyl)-2H-benzimidazole is Cc1cc(C)c(N2CN(C)c3ccccc32)c(C)c1.
What is the InChIKey of 1-methyl-3-(2,4,6-trimethylphenyl)-2H-benzimidazole?
The InChIKey is JDJGTTRCZCSRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-12-9-13(2)17(14(3)10-12)19-11-18(4)15-7-5-6-8-16(15)19/h5-10H,11H2,1-4H3.
What are the key properties of 1-methyl-3-(2,4,6-trimethylphenyl)-2H-benzimidazole?
1-methyl-3-(2,4,6-trimethylphenyl)-2H-benzimidazole has a molecular weight of 252.36 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2,4,6-trimethylphenyl)-2H-benzimidazole is sourced from PubChem (CID 130344574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).