1-tert-butyl-2,4,5-triphenylimidazole

C25H24N2 — CID 142519119

IUPAC1-tert-butyl-2,4,5-triphenylimidazole
SMILESCC(C)(C)n1c(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H24N2/c1-25(2,3)27-23(20-15-9-5-10-16-20)22(19-13-7-4-8-14-19)26-24(27)21-17-11-6-12-18-21/h4-18H,1-3H3
InChIKeyOZTZBOKABSLJCO-UHFFFAOYSA-N
MW352.48 g/mol
LogP6.64
Rot. Bonds3

About 1-tert-butyl-2,4,5-triphenylimidazole

1-tert-butyl-2,4,5-triphenylimidazole (PubChem CID 142519119) has the molecular formula C25H24N2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-tert-butyl-2,4,5-triphenylimidazole.

Molecular Properties

Compound Name1-tert-butyl-2,4,5-triphenylimidazole
PubChem CID142519119
Molecular FormulaC25H24N2
Molecular Weight352.48 g/mol
Exact Mass352.19
IUPAC Name1-tert-butyl-2,4,5-triphenylimidazole
SMILESCC(C)(C)n1c(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H24N2/c1-25(2,3)27-23(20-15-9-5-10-16-20)22(19-13-7-4-8-14-19)26-24(27)21-17-11-6-12-18-21/h4-18H,1-3H3
InChIKeyOZTZBOKABSLJCO-UHFFFAOYSA-N
XLogP6.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole
CID 102256803
1,4,5-triphenyl-2-(1,4,5-triphenylimidazol-2-yl)imidazole
CID 19020129
1-tert-butyl-5-methyl-2-phenylbenzimidazole
CID 151472435
2-(4-bromophenyl)-1-ethyl-4,5-diphenylimidazole
CID 11825610
1-(4-bromophenyl)-2,4,5-triphenylimidazole
CID 71122850
1-(2-chlorophenyl)-2-methyl-4,5-diphenylimidazole
CID 19902800
2-(furan-2-yl)-1-methyl-4,5-diphenylimidazole
CID 15129898
1-methyl-4-(4-nitrophenyl)-2,5-diphenylimidazole
CID 53243899
2,4,5-triphenyl-1-(2-phenylimidazol-2-yl)imidazole
CID 91123097
1-methyl-4-(2-methylphenyl)-2,5-diphenylimidazole
CID 53243903
2-phenyl-1-(trifluoromethyl)benzimidazole
CID 123856722
3,5-bis(2-methyl-4,5-diphenylimidazol-1-yl)-1H-1,2,4-triazole
CID 177465805

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,4,5-triphenylimidazole?
The IUPAC name of 1-tert-butyl-2,4,5-triphenylimidazole (CID 142519119) is 1-tert-butyl-2,4,5-triphenylimidazole.
What is the SMILES notation for 1-tert-butyl-2,4,5-triphenylimidazole?
The canonical SMILES for 1-tert-butyl-2,4,5-triphenylimidazole is CC(C)(C)n1c(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-tert-butyl-2,4,5-triphenylimidazole?
The InChIKey is OZTZBOKABSLJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2/c1-25(2,3)27-23(20-15-9-5-10-16-20)22(19-13-7-4-8-14-19)26-24(27)21-17-11-6-12-18-21/h4-18H,1-3H3.
What are the key properties of 1-tert-butyl-2,4,5-triphenylimidazole?
1-tert-butyl-2,4,5-triphenylimidazole has a molecular weight of 352.48 g/mol, XLogP of 6.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,4,5-triphenylimidazole is sourced from PubChem (CID 142519119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).