4-[1-(2,6-dimethylphenyl)imidazol-2-yl]-3-methylbenzonitrile

C19H17N3 — CID 170293555

IUPAC4-[1-(2,6-dimethylphenyl)imidazol-2-yl]-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1-c1nccn1-c1c(C)cccc1C
InChIInChI=1S/C19H17N3/c1-13-5-4-6-14(2)18(13)22-10-9-21-19(22)17-8-7-16(12-20)11-15(17)3/h4-11H,1-3H3
InChIKeyGAEBLIVDYLOWHC-UHFFFAOYSA-N
MW287.37 g/mol
LogP4.34
Rot. Bonds2

About 4-[1-(2,6-dimethylphenyl)imidazol-2-yl]-3-methylbenzonitrile

4-[1-(2,6-dimethylphenyl)imidazol-2-yl]-3-methylbenzonitrile (PubChem CID 170293555) has the molecular formula C19H17N3 and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-[1-(2,6-dimethylphenyl)imidazol-2-yl]-3-methylbenzonitrile.

Molecular Properties

Compound Name4-[1-(2,6-dimethylphenyl)imidazol-2-yl]-3-methylbenzonitrile
PubChem CID170293555
Molecular FormulaC19H17N3
Molecular Weight287.37 g/mol
Exact Mass287.14
IUPAC Name4-[1-(2,6-dimethylphenyl)imidazol-2-yl]-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1-c1nccn1-c1c(C)cccc1C
InChIInChI=1S/C19H17N3/c1-13-5-4-6-14(2)18(13)22-10-9-21-19(22)17-8-7-16(12-20)11-15(17)3/h4-11H,1-3H3
InChIKeyGAEBLIVDYLOWHC-UHFFFAOYSA-N
XLogP4.34
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,6-dimethylphenyl)imidazol-2-yl]-3-methylbenzonitrile?
The IUPAC name of 4-[1-(2,6-dimethylphenyl)imidazol-2-yl]-3-methylbenzonitrile (CID 170293555) is 4-[1-(2,6-dimethylphenyl)imidazol-2-yl]-3-methylbenzonitrile.
What is the SMILES notation for 4-[1-(2,6-dimethylphenyl)imidazol-2-yl]-3-methylbenzonitrile?
The canonical SMILES for 4-[1-(2,6-dimethylphenyl)imidazol-2-yl]-3-methylbenzonitrile is Cc1cc(C#N)ccc1-c1nccn1-c1c(C)cccc1C.
What is the InChIKey of 4-[1-(2,6-dimethylphenyl)imidazol-2-yl]-3-methylbenzonitrile?
The InChIKey is GAEBLIVDYLOWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3/c1-13-5-4-6-14(2)18(13)22-10-9-21-19(22)17-8-7-16(12-20)11-15(17)3/h4-11H,1-3H3.
What are the key properties of 4-[1-(2,6-dimethylphenyl)imidazol-2-yl]-3-methylbenzonitrile?
4-[1-(2,6-dimethylphenyl)imidazol-2-yl]-3-methylbenzonitrile has a molecular weight of 287.37 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,6-dimethylphenyl)imidazol-2-yl]-3-methylbenzonitrile is sourced from PubChem (CID 170293555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).