3-methyl-1-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-tetrazole

C18H20N6O — CID 162299889

IUPAC3-methyl-1-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-tetrazole
SMILESCN1C=CN(c2cccc(Oc3cccc(N4C=NN(C)N4)c3)c2)C1
InChIInChI=1S/C18H20N6O/c1-21-9-10-23(14-21)15-5-3-7-17(11-15)25-18-8-4-6-16(12-18)24-13-19-22(2)20-24/h3-13,20H,14H2,1-2H3
InChIKeyZVGVALOAWXBSLD-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.77
Rot. Bonds4

About 3-methyl-1-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-tetrazole

3-methyl-1-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-tetrazole (PubChem CID 162299889) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-methyl-1-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name3-methyl-1-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-tetrazole
PubChem CID162299889
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name3-methyl-1-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-tetrazole
SMILESCN1C=CN(c2cccc(Oc3cccc(N4C=NN(C)N4)c3)c2)C1
InChIInChI=1S/C18H20N6O/c1-21-9-10-23(14-21)15-5-3-7-17(11-15)25-18-8-4-6-16(12-18)24-13-19-22(2)20-24/h3-13,20H,14H2,1-2H3
InChIKeyZVGVALOAWXBSLD-UHFFFAOYSA-N
XLogP2.77
TPSA46.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-1-phenyl-2H-tetrazole
CID 86154353
1,4-dimethyl-3-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-imidazol-1-ium-2-ide
CID 140765103
2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)-3-phenylpyridine
CID 168758447
2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-5-pyridin-3-yl-1,3-oxazole
CID 140729683
3-[3-methyl-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]imidazol-4-yl]pyridine
CID 140730853
1-propan-2-yl-3-[3-[3-(3-propan-2-yl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-imidazole
CID 140698989
2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-pyrrolidin-1-ylphenyl]-4-(3-phenoxyphenyl)pyridine
CID 168758544
4-methyl-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-5-pyridin-3-yl-1,3-thiazole
CID 140765089
3-methyl-11-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-f]phenanthridine
CID 140593834
4-(2,4-diphenylphenyl)-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]pyridine
CID 168763379
2-tert-butyl-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 162274973
2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]dibenzofuran-1-yl]oxypyridine
CID 153431950

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-tetrazole?
The IUPAC name of 3-methyl-1-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-tetrazole (CID 162299889) is 3-methyl-1-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-tetrazole.
What is the SMILES notation for 3-methyl-1-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-tetrazole?
The canonical SMILES for 3-methyl-1-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-tetrazole is CN1C=CN(c2cccc(Oc3cccc(N4C=NN(C)N4)c3)c2)C1.
What is the InChIKey of 3-methyl-1-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-tetrazole?
The InChIKey is ZVGVALOAWXBSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-21-9-10-23(14-21)15-5-3-7-17(11-15)25-18-8-4-6-16(12-18)24-13-19-22(2)20-24/h3-13,20H,14H2,1-2H3.
What are the key properties of 3-methyl-1-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-tetrazole?
3-methyl-1-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-tetrazole has a molecular weight of 336.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-tetrazole is sourced from PubChem (CID 162299889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).