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

C17H15N3 — CID 104720674

IUPAC2-(2,4,6-trimethylphenyl)-1H-benzimidazole-4-carbonitrile
SMILESCc1cc(C)c(-c2nc3c(C#N)cccc3[nH]2)c(C)c1
InChIInChI=1S/C17H15N3/c1-10-7-11(2)15(12(3)8-10)17-19-14-6-4-5-13(9-18)16(14)20-17/h4-8H,1-3H3,(H,19,20)
InChIKeyNULJFWFEEWSAFA-UHFFFAOYSA-N
MW261.33 g/mol
LogP4.03
Rot. Bonds1

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

2-(2,4,6-trimethylphenyl)-1H-benzimidazole-4-carbonitrile (PubChem CID 104720674) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-(2,4,6-trimethylphenyl)-1H-benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-(2,4,6-trimethylphenyl)-1H-benzimidazole-4-carbonitrile
PubChem CID104720674
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name2-(2,4,6-trimethylphenyl)-1H-benzimidazole-4-carbonitrile
SMILESCc1cc(C)c(-c2nc3c(C#N)cccc3[nH]2)c(C)c1
InChIInChI=1S/C17H15N3/c1-10-7-11(2)15(12(3)8-10)17-19-14-6-4-5-13(9-18)16(14)20-17/h4-8H,1-3H3,(H,19,20)
InChIKeyNULJFWFEEWSAFA-UHFFFAOYSA-N
XLogP4.03
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethylphenyl)-1H-benzimidazole-4-carbonitrile?
The IUPAC name of 2-(2,4,6-trimethylphenyl)-1H-benzimidazole-4-carbonitrile (CID 104720674) is 2-(2,4,6-trimethylphenyl)-1H-benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-(2,4,6-trimethylphenyl)-1H-benzimidazole-4-carbonitrile?
The canonical SMILES for 2-(2,4,6-trimethylphenyl)-1H-benzimidazole-4-carbonitrile is Cc1cc(C)c(-c2nc3c(C#N)cccc3[nH]2)c(C)c1.
What is the InChIKey of 2-(2,4,6-trimethylphenyl)-1H-benzimidazole-4-carbonitrile?
The InChIKey is NULJFWFEEWSAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c1-10-7-11(2)15(12(3)8-10)17-19-14-6-4-5-13(9-18)16(14)20-17/h4-8H,1-3H3,(H,19,20).
What are the key properties of 2-(2,4,6-trimethylphenyl)-1H-benzimidazole-4-carbonitrile?
2-(2,4,6-trimethylphenyl)-1H-benzimidazole-4-carbonitrile has a molecular weight of 261.33 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethylphenyl)-1H-benzimidazole-4-carbonitrile is sourced from PubChem (CID 104720674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).