4-(2H-tetrazol-5-yl)-2-[1-[[2-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]pyridine

C17H12F3N7O — CID 90407265

IUPAC4-(2H-tetrazol-5-yl)-2-[1-[[2-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]pyridine
SMILESFC(F)(F)Oc1ccccc1Cn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1
InChIInChI=1S/C17H12F3N7O/c18-17(19,20)28-15-4-2-1-3-12(15)8-27-9-14(22-10-27)13-7-11(5-6-21-13)16-23-25-26-24-16/h1-7,9-10H,8H2,(H,23,24,25,26)
InChIKeyDSHWUABDXNNPOI-UHFFFAOYSA-N
MW387.33 g/mol
LogP3.07
Rot. Bonds5

About 4-(2H-tetrazol-5-yl)-2-[1-[[2-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]pyridine

4-(2H-tetrazol-5-yl)-2-[1-[[2-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]pyridine (PubChem CID 90407265) has the molecular formula C17H12F3N7O and a molecular weight of 387.33 g/mol. Its IUPAC name is 4-(2H-tetrazol-5-yl)-2-[1-[[2-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-(2H-tetrazol-5-yl)-2-[1-[[2-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]pyridine
PubChem CID90407265
Molecular FormulaC17H12F3N7O
Molecular Weight387.33 g/mol
Exact Mass387.11
IUPAC Name4-(2H-tetrazol-5-yl)-2-[1-[[2-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]pyridine
SMILESFC(F)(F)Oc1ccccc1Cn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1
InChIInChI=1S/C17H12F3N7O/c18-17(19,20)28-15-4-2-1-3-12(15)8-27-9-14(22-10-27)13-7-11(5-6-21-13)16-23-25-26-24-16/h1-7,9-10H,8H2,(H,23,24,25,26)
InChIKeyDSHWUABDXNNPOI-UHFFFAOYSA-N
XLogP3.07
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2H-tetrazol-5-yl)-2-[1-[[2-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]pyridine?
The IUPAC name of 4-(2H-tetrazol-5-yl)-2-[1-[[2-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]pyridine (CID 90407265) is 4-(2H-tetrazol-5-yl)-2-[1-[[2-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]pyridine.
What is the SMILES notation for 4-(2H-tetrazol-5-yl)-2-[1-[[2-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]pyridine?
The canonical SMILES for 4-(2H-tetrazol-5-yl)-2-[1-[[2-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]pyridine is FC(F)(F)Oc1ccccc1Cn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1.
What is the InChIKey of 4-(2H-tetrazol-5-yl)-2-[1-[[2-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]pyridine?
The InChIKey is DSHWUABDXNNPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N7O/c18-17(19,20)28-15-4-2-1-3-12(15)8-27-9-14(22-10-27)13-7-11(5-6-21-13)16-23-25-26-24-16/h1-7,9-10H,8H2,(H,23,24,25,26).
What are the key properties of 4-(2H-tetrazol-5-yl)-2-[1-[[2-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]pyridine?
4-(2H-tetrazol-5-yl)-2-[1-[[2-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]pyridine has a molecular weight of 387.33 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-tetrazol-5-yl)-2-[1-[[2-(trifluoromethoxy)phenyl]methyl]imidazol-4-yl]pyridine is sourced from PubChem (CID 90407265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).