2,5-bis[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole

C23H28N2 — CID 156787365

IUPAC2,5-bis[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole
SMILESCc1cccc(C(C)c2cnc(C(C)c3cccc(C)c3C)[nH]2)c1C
InChIInChI=1S/C23H28N2/c1-14-9-7-11-20(16(14)3)18(5)22-13-24-23(25-22)19(6)21-12-8-10-15(2)17(21)4/h7-13,18-19H,1-6H3,(H,24,25)
InChIKeyQUXZMAIFHDGDNY-UHFFFAOYSA-N
MW332.49 g/mol
LogP5.95
Rot. Bonds4

About 2,5-bis[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole

2,5-bis[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole (PubChem CID 156787365) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2,5-bis[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole.

Molecular Properties

Compound Name2,5-bis[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole
PubChem CID156787365
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC Name2,5-bis[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole
SMILESCc1cccc(C(C)c2cnc(C(C)c3cccc(C)c3C)[nH]2)c1C
InChIInChI=1S/C23H28N2/c1-14-9-7-11-20(16(14)3)18(5)22-13-24-23(25-22)19(6)21-12-8-10-15(2)17(21)4/h7-13,18-19H,1-6H3,(H,24,25)
InChIKeyQUXZMAIFHDGDNY-UHFFFAOYSA-N
XLogP5.95
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole?
The IUPAC name of 2,5-bis[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole (CID 156787365) is 2,5-bis[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole.
What is the SMILES notation for 2,5-bis[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole?
The canonical SMILES for 2,5-bis[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole is Cc1cccc(C(C)c2cnc(C(C)c3cccc(C)c3C)[nH]2)c1C.
What is the InChIKey of 2,5-bis[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole?
The InChIKey is QUXZMAIFHDGDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2/c1-14-9-7-11-20(16(14)3)18(5)22-13-24-23(25-22)19(6)21-12-8-10-15(2)17(21)4/h7-13,18-19H,1-6H3,(H,24,25).
What are the key properties of 2,5-bis[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole?
2,5-bis[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole has a molecular weight of 332.49 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole is sourced from PubChem (CID 156787365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).