5-[1-(2,4,5-triphenylimidazol-1-yl)hexyl]-2H-tetrazole

C28H28N6 — CID 142650495

IUPAC5-[1-(2,4,5-triphenylimidazol-1-yl)hexyl]-2H-tetrazole
SMILESCCCCCC(c1nn[nH]n1)n1c(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C28H28N6/c1-2-3-7-20-24(27-30-32-33-31-27)34-26(22-16-10-5-11-17-22)25(21-14-8-4-9-15-21)29-28(34)23-18-12-6-13-19-23/h4-6,8-19,24H,2-3,7,20H2,1H3,(H,30,31,32,33)
InChIKeySGNBZSJLPKHFRX-UHFFFAOYSA-N
MW448.57 g/mol
LogP6.57
Rot. Bonds9

About 5-[1-(2,4,5-triphenylimidazol-1-yl)hexyl]-2H-tetrazole

5-[1-(2,4,5-triphenylimidazol-1-yl)hexyl]-2H-tetrazole (PubChem CID 142650495) has the molecular formula C28H28N6 and a molecular weight of 448.57 g/mol. Its IUPAC name is 5-[1-(2,4,5-triphenylimidazol-1-yl)hexyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[1-(2,4,5-triphenylimidazol-1-yl)hexyl]-2H-tetrazole
PubChem CID142650495
Molecular FormulaC28H28N6
Molecular Weight448.57 g/mol
Exact Mass448.24
IUPAC Name5-[1-(2,4,5-triphenylimidazol-1-yl)hexyl]-2H-tetrazole
SMILESCCCCCC(c1nn[nH]n1)n1c(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C28H28N6/c1-2-3-7-20-24(27-30-32-33-31-27)34-26(22-16-10-5-11-17-22)25(21-14-8-4-9-15-21)29-28(34)23-18-12-6-13-19-23/h4-6,8-19,24H,2-3,7,20H2,1H3,(H,30,31,32,33)
InChIKeySGNBZSJLPKHFRX-UHFFFAOYSA-N
XLogP6.57
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[1-(2,4,5-triphenylimidazol-1-yl)heptyl]-2H-tetrazole
CID 142650496
5-(4-butyl-2,5-diphenylimidazol-1-yl)-2H-tetrazole
CID 67848996
dihydroxy(oxo)phosphanium;1-heptyl-2,4,5-triphenylimidazole
CID 70277555
5-[1-(4-phenylphenoxy)ethyl]-2H-tetrazole
CID 123240955
1-[(2S)-1-chloro-3-phenylpropan-2-yl]-2,4,5-triphenylimidazole
CID 123275612
5-(1-benzylsulfanylethyl)-2H-tetrazole
CID 174272780
1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole
CID 102256803
6-[1-(2-phenylimidazol-1-yl)heptyl]-1,3,5-triazine-2,4-diamine
CID 175354559
1-heptan-2-yl-2,5-dimethylpyrrole
CID 63404385
5-[(1S)-1-[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole
CID 95199657
5-[(1S)-1-[5-(3-methoxy-4-methylphenyl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole
CID 95190090
1-tert-butyl-2,4,5-triphenylimidazole
CID 142519119

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,4,5-triphenylimidazol-1-yl)hexyl]-2H-tetrazole?
The IUPAC name of 5-[1-(2,4,5-triphenylimidazol-1-yl)hexyl]-2H-tetrazole (CID 142650495) is 5-[1-(2,4,5-triphenylimidazol-1-yl)hexyl]-2H-tetrazole.
What is the SMILES notation for 5-[1-(2,4,5-triphenylimidazol-1-yl)hexyl]-2H-tetrazole?
The canonical SMILES for 5-[1-(2,4,5-triphenylimidazol-1-yl)hexyl]-2H-tetrazole is CCCCCC(c1nn[nH]n1)n1c(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 5-[1-(2,4,5-triphenylimidazol-1-yl)hexyl]-2H-tetrazole?
The InChIKey is SGNBZSJLPKHFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6/c1-2-3-7-20-24(27-30-32-33-31-27)34-26(22-16-10-5-11-17-22)25(21-14-8-4-9-15-21)29-28(34)23-18-12-6-13-19-23/h4-6,8-19,24H,2-3,7,20H2,1H3,(H,30,31,32,33).
What are the key properties of 5-[1-(2,4,5-triphenylimidazol-1-yl)hexyl]-2H-tetrazole?
5-[1-(2,4,5-triphenylimidazol-1-yl)hexyl]-2H-tetrazole has a molecular weight of 448.57 g/mol, XLogP of 6.57, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,4,5-triphenylimidazol-1-yl)hexyl]-2H-tetrazole is sourced from PubChem (CID 142650495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).