4,5-bis(2,6-dimethylphenyl)-1H-imidazole

C19H20N2 — CID 133083564

IUPAC4,5-bis(2,6-dimethylphenyl)-1H-imidazole
SMILESCc1cccc(C)c1-c1nc[nH]c1-c1c(C)cccc1C
InChIInChI=1S/C19H20N2/c1-12-7-5-8-13(2)16(12)18-19(21-11-20-18)17-14(3)9-6-10-15(17)4/h5-11H,1-4H3,(H,20,21)
InChIKeyQYKSOPLZEYXJDJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.98
Rot. Bonds2

About 4,5-bis(2,6-dimethylphenyl)-1H-imidazole

4,5-bis(2,6-dimethylphenyl)-1H-imidazole (PubChem CID 133083564) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4,5-bis(2,6-dimethylphenyl)-1H-imidazole.

Molecular Properties

Compound Name4,5-bis(2,6-dimethylphenyl)-1H-imidazole
PubChem CID133083564
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name4,5-bis(2,6-dimethylphenyl)-1H-imidazole
SMILESCc1cccc(C)c1-c1nc[nH]c1-c1c(C)cccc1C
InChIInChI=1S/C19H20N2/c1-12-7-5-8-13(2)16(12)18-19(21-11-20-18)17-14(3)9-6-10-15(17)4/h5-11H,1-4H3,(H,20,21)
InChIKeyQYKSOPLZEYXJDJ-UHFFFAOYSA-N
XLogP4.98
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(2,6-dimethylphenyl)-1H-imidazole?
The IUPAC name of 4,5-bis(2,6-dimethylphenyl)-1H-imidazole (CID 133083564) is 4,5-bis(2,6-dimethylphenyl)-1H-imidazole.
What is the SMILES notation for 4,5-bis(2,6-dimethylphenyl)-1H-imidazole?
The canonical SMILES for 4,5-bis(2,6-dimethylphenyl)-1H-imidazole is Cc1cccc(C)c1-c1nc[nH]c1-c1c(C)cccc1C.
What is the InChIKey of 4,5-bis(2,6-dimethylphenyl)-1H-imidazole?
The InChIKey is QYKSOPLZEYXJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-12-7-5-8-13(2)16(12)18-19(21-11-20-18)17-14(3)9-6-10-15(17)4/h5-11H,1-4H3,(H,20,21).
What are the key properties of 4,5-bis(2,6-dimethylphenyl)-1H-imidazole?
4,5-bis(2,6-dimethylphenyl)-1H-imidazole has a molecular weight of 276.38 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(2,6-dimethylphenyl)-1H-imidazole is sourced from PubChem (CID 133083564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).