5-methyl-2-(4-methylphenyl)-1H-imidazole-4-carbonitrile

C12H11N3 — CID 82373758

IUPAC5-methyl-2-(4-methylphenyl)-1H-imidazole-4-carbonitrile
SMILESCc1ccc(-c2nc(C#N)c(C)[nH]2)cc1
InChIInChI=1S/C12H11N3/c1-8-3-5-10(6-4-8)12-14-9(2)11(7-13)15-12/h3-6H,1-2H3,(H,14,15)
InChIKeyDOWRWXSZLQOPMP-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.57
Rot. Bonds1

About 5-methyl-2-(4-methylphenyl)-1H-imidazole-4-carbonitrile

5-methyl-2-(4-methylphenyl)-1H-imidazole-4-carbonitrile (PubChem CID 82373758) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-methyl-2-(4-methylphenyl)-1H-imidazole-4-carbonitrile.

Molecular Properties

Compound Name5-methyl-2-(4-methylphenyl)-1H-imidazole-4-carbonitrile
PubChem CID82373758
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name5-methyl-2-(4-methylphenyl)-1H-imidazole-4-carbonitrile
SMILESCc1ccc(-c2nc(C#N)c(C)[nH]2)cc1
InChIInChI=1S/C12H11N3/c1-8-3-5-10(6-4-8)12-14-9(2)11(7-13)15-12/h3-6H,1-2H3,(H,14,15)
InChIKeyDOWRWXSZLQOPMP-UHFFFAOYSA-N
XLogP2.57
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylphenyl)-1H-imidazole-4-carbonitrile?
The IUPAC name of 5-methyl-2-(4-methylphenyl)-1H-imidazole-4-carbonitrile (CID 82373758) is 5-methyl-2-(4-methylphenyl)-1H-imidazole-4-carbonitrile.
What is the SMILES notation for 5-methyl-2-(4-methylphenyl)-1H-imidazole-4-carbonitrile?
The canonical SMILES for 5-methyl-2-(4-methylphenyl)-1H-imidazole-4-carbonitrile is Cc1ccc(-c2nc(C#N)c(C)[nH]2)cc1.
What is the InChIKey of 5-methyl-2-(4-methylphenyl)-1H-imidazole-4-carbonitrile?
The InChIKey is DOWRWXSZLQOPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c1-8-3-5-10(6-4-8)12-14-9(2)11(7-13)15-12/h3-6H,1-2H3,(H,14,15).
What are the key properties of 5-methyl-2-(4-methylphenyl)-1H-imidazole-4-carbonitrile?
5-methyl-2-(4-methylphenyl)-1H-imidazole-4-carbonitrile has a molecular weight of 197.24 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylphenyl)-1H-imidazole-4-carbonitrile is sourced from PubChem (CID 82373758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).