5-[4-(2-ethyl-4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole

C18H16N6 — CID 118978775

IUPAC5-[4-(2-ethyl-4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole
SMILESCCc1cc(-n2ccnc2)ccc1-c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C18H16N6/c1-2-13-11-16(24-10-9-19-12-24)7-8-17(13)14-3-5-15(6-4-14)18-20-22-23-21-18/h3-12H,2H2,1H3,(H,20,21,22,23)
InChIKeyMXPADBZJLYISBM-UHFFFAOYSA-N
MW316.37 g/mol
LogP3.28
Rot. Bonds4

About 5-[4-(2-ethyl-4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole

5-[4-(2-ethyl-4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole (PubChem CID 118978775) has the molecular formula C18H16N6 and a molecular weight of 316.37 g/mol. Its IUPAC name is 5-[4-(2-ethyl-4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[4-(2-ethyl-4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole
PubChem CID118978775
Molecular FormulaC18H16N6
Molecular Weight316.37 g/mol
Exact Mass316.14
IUPAC Name5-[4-(2-ethyl-4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole
SMILESCCc1cc(-n2ccnc2)ccc1-c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C18H16N6/c1-2-13-11-16(24-10-9-19-12-24)7-8-17(13)14-3-5-15(6-4-14)18-20-22-23-21-18/h3-12H,2H2,1H3,(H,20,21,22,23)
InChIKeyMXPADBZJLYISBM-UHFFFAOYSA-N
XLogP3.28
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

L-158809
CID 183134
FK-739 free acid
CID 9801627
FK-739
CID 23668568
1-phenyl-2-(p-tolyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium bromide
CID 16682272
2-butyl-1-{[2'-(1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-1H-1,3-benzodiazole
CID 4286584
L 158338
CID 3036053
5,7-dimethyl-2-propyl-3-[[9-(2H-tetrazol-5-yl)-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]methyl]imidazo[4,5-b]pyridine
CID 10004498
2-butyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 15076145
5,7-dimethyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 15076146
1-((1-benzyl-1H-tetrazol-5-yl)(4-(2-methyl-1H-imidazol-1-yl)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44158811
4,4'-Di(1H-imidazol-1-yl)-1,1'-biphenyl
CID 57393199
KR-31080
CID 9806587

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-ethyl-4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole?
The IUPAC name of 5-[4-(2-ethyl-4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole (CID 118978775) is 5-[4-(2-ethyl-4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[4-(2-ethyl-4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole?
The canonical SMILES for 5-[4-(2-ethyl-4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole is CCc1cc(-n2ccnc2)ccc1-c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 5-[4-(2-ethyl-4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole?
The InChIKey is MXPADBZJLYISBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6/c1-2-13-11-16(24-10-9-19-12-24)7-8-17(13)14-3-5-15(6-4-14)18-20-22-23-21-18/h3-12H,2H2,1H3,(H,20,21,22,23).
What are the key properties of 5-[4-(2-ethyl-4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole?
5-[4-(2-ethyl-4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole has a molecular weight of 316.37 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-ethyl-4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole is sourced from PubChem (CID 118978775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).