5-(4-butyl-2,5-diphenylimidazol-1-yl)-2H-tetrazole

C20H20N6 — CID 67848996

IUPAC5-(4-butyl-2,5-diphenylimidazol-1-yl)-2H-tetrazole
SMILESCCCCc1nc(-c2ccccc2)n(-c2nn[nH]n2)c1-c1ccccc1
InChIInChI=1S/C20H20N6/c1-2-3-14-17-18(15-10-6-4-7-11-15)26(20-22-24-25-23-20)19(21-17)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3,(H,22,23,24,25)
InChIKeyGKEPRCOUYOVUCM-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.06
Rot. Bonds6

About 5-(4-butyl-2,5-diphenylimidazol-1-yl)-2H-tetrazole

5-(4-butyl-2,5-diphenylimidazol-1-yl)-2H-tetrazole (PubChem CID 67848996) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 5-(4-butyl-2,5-diphenylimidazol-1-yl)-2H-tetrazole.

Molecular Properties

Compound Name5-(4-butyl-2,5-diphenylimidazol-1-yl)-2H-tetrazole
PubChem CID67848996
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name5-(4-butyl-2,5-diphenylimidazol-1-yl)-2H-tetrazole
SMILESCCCCc1nc(-c2ccccc2)n(-c2nn[nH]n2)c1-c1ccccc1
InChIInChI=1S/C20H20N6/c1-2-3-14-17-18(15-10-6-4-7-11-15)26(20-22-24-25-23-20)19(21-17)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3,(H,22,23,24,25)
InChIKeyGKEPRCOUYOVUCM-UHFFFAOYSA-N
XLogP4.06
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-hexyl-1,2-diphenylimidazole
CID 142289117
7-(2-butylimidazo[4,5-b]pyridin-3-yl)-2-(4-methylphenyl)-3-(2H-tetrazol-5-yl)imidazo[4,5-b]pyridine
CID 54229757
5-[1-(2,4,5-triphenylimidazol-1-yl)hexyl]-2H-tetrazole
CID 142650495
5-[1-(2,4,5-triphenylimidazol-1-yl)heptyl]-2H-tetrazole
CID 142650496
6-(5-butyl-4-methyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 175120555
2-butyl-6-(1-methylbenzimidazol-2-yl)-1-[2-methyl-3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole
CID 67722836
2,3-dibutylquinoxaline
CID 14641798
2-[2-butyl-5-methyl-1-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]imidazol-4-yl]ethanamine;hydrochloride
CID 174396966
2,6-dibutyl-4-phenyl-1-(2H-tetrazol-5-yl)pyridin-1-ium
CID 11782623
4-butyl-5,6-dimethyl-2-phenylpyrimidine
CID 138967628
5-[1-[4-[[5-butyl-3-(1,1-difluorobutyl)-1,2,4-triazol-1-yl]methyl]phenyl]-3,5-diphenylpyrrol-2-yl]-2H-tetrazole
CID 19804402
2-(5-bromo-4-butyl-2-phenylimidazol-1-yl)propanenitrile
CID 101322766

Frequently Asked Questions

What is the IUPAC name of 5-(4-butyl-2,5-diphenylimidazol-1-yl)-2H-tetrazole?
The IUPAC name of 5-(4-butyl-2,5-diphenylimidazol-1-yl)-2H-tetrazole (CID 67848996) is 5-(4-butyl-2,5-diphenylimidazol-1-yl)-2H-tetrazole.
What is the SMILES notation for 5-(4-butyl-2,5-diphenylimidazol-1-yl)-2H-tetrazole?
The canonical SMILES for 5-(4-butyl-2,5-diphenylimidazol-1-yl)-2H-tetrazole is CCCCc1nc(-c2ccccc2)n(-c2nn[nH]n2)c1-c1ccccc1.
What is the InChIKey of 5-(4-butyl-2,5-diphenylimidazol-1-yl)-2H-tetrazole?
The InChIKey is GKEPRCOUYOVUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-2-3-14-17-18(15-10-6-4-7-11-15)26(20-22-24-25-23-20)19(21-17)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3,(H,22,23,24,25).
What are the key properties of 5-(4-butyl-2,5-diphenylimidazol-1-yl)-2H-tetrazole?
5-(4-butyl-2,5-diphenylimidazol-1-yl)-2H-tetrazole has a molecular weight of 344.42 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butyl-2,5-diphenylimidazol-1-yl)-2H-tetrazole is sourced from PubChem (CID 67848996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).