5-[1-[(R)-1-benzofuran-2-yl(phenyl)methyl]triazol-4-yl]-5H-tetrazole

C18H13N7O — CID 174625245

IUPAC5-[1-[(R)-1-benzofuran-2-yl(phenyl)methyl]triazol-4-yl]-5H-tetrazole
SMILESc1ccc([C@H](c2cc3ccccc3o2)n2cc(C3N=NN=N3)nn2)cc1
InChIInChI=1S/C18H13N7O/c1-2-6-12(7-3-1)17(16-10-13-8-4-5-9-15(13)26-16)25-11-14(19-24-25)18-20-22-23-21-18/h1-11,17-18H/t17-/m1/s1
InChIKeyIEJUJLHSJRMTQQ-QGZVFWFLSA-N
MW343.35 g/mol
LogP4.49
Rot. Bonds4

About 5-[1-[(R)-1-benzofuran-2-yl(phenyl)methyl]triazol-4-yl]-5H-tetrazole

5-[1-[(R)-1-benzofuran-2-yl(phenyl)methyl]triazol-4-yl]-5H-tetrazole (PubChem CID 174625245) has the molecular formula C18H13N7O and a molecular weight of 343.35 g/mol. Its IUPAC name is 5-[1-[(R)-1-benzofuran-2-yl(phenyl)methyl]triazol-4-yl]-5H-tetrazole.

Molecular Properties

Compound Name5-[1-[(R)-1-benzofuran-2-yl(phenyl)methyl]triazol-4-yl]-5H-tetrazole
PubChem CID174625245
Molecular FormulaC18H13N7O
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name5-[1-[(R)-1-benzofuran-2-yl(phenyl)methyl]triazol-4-yl]-5H-tetrazole
SMILESc1ccc([C@H](c2cc3ccccc3o2)n2cc(C3N=NN=N3)nn2)cc1
InChIInChI=1S/C18H13N7O/c1-2-6-12(7-3-1)17(16-10-13-8-4-5-9-15(13)26-16)25-11-14(19-24-25)18-20-22-23-21-18/h1-11,17-18H/t17-/m1/s1
InChIKeyIEJUJLHSJRMTQQ-QGZVFWFLSA-N
XLogP4.49
TPSA93.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[1-[(R)-1-benzofuran-2-yl(phenyl)methyl]triazol-4-yl]-5H-tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-benzofuran-2-yl(phenyl)methyl]-1,2,4-triazole
CID 57079600
1-[1-benzofuran-2-yl(phenyl)methyl]pyrrolidine
CID 71560868
1-[1-benzofuran-2-yl(phenyl)methyl]-3-benzylimidazol-3-ium
CID 71509307
2-[(1R)-3-methyl-1-phenylbutyl]-1-benzofuran
CID 134949472
1-benzhydryl-3-(1-benzofuran-2-yl)azetidine
CID 67154723
1-benzofuran-2-yl-(1-methylpyrazol-4-yl)methanol
CID 63090768
4-[1-benzofuran-2-yl-(4-methylphenyl)methyl]morpholine
CID 13048630
1-[(5-chloro-1-benzofuran-2-yl)-phenylmethyl]imidazole
CID 21277774
1-[1-benzofuran-2-yl(phenyl)methyl]-3-butylimidazol-3-ium
CID 71509450
2-[(1R,2R)-2,3,3-trimethyl-1-phenylbutyl]-1-benzofuran
CID 101400046
1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine
CID 61064024
1-[1-benzofuran-2-yl-(4-chlorophenyl)methyl]-4-methylpiperazine
CID 13048632

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(R)-1-benzofuran-2-yl(phenyl)methyl]triazol-4-yl]-5H-tetrazole?
The IUPAC name of 5-[1-[(R)-1-benzofuran-2-yl(phenyl)methyl]triazol-4-yl]-5H-tetrazole (CID 174625245) is 5-[1-[(R)-1-benzofuran-2-yl(phenyl)methyl]triazol-4-yl]-5H-tetrazole.
What is the SMILES notation for 5-[1-[(R)-1-benzofuran-2-yl(phenyl)methyl]triazol-4-yl]-5H-tetrazole?
The canonical SMILES for 5-[1-[(R)-1-benzofuran-2-yl(phenyl)methyl]triazol-4-yl]-5H-tetrazole is c1ccc([C@H](c2cc3ccccc3o2)n2cc(C3N=NN=N3)nn2)cc1.
What is the InChIKey of 5-[1-[(R)-1-benzofuran-2-yl(phenyl)methyl]triazol-4-yl]-5H-tetrazole?
The InChIKey is IEJUJLHSJRMTQQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H13N7O/c1-2-6-12(7-3-1)17(16-10-13-8-4-5-9-15(13)26-16)25-11-14(19-24-25)18-20-22-23-21-18/h1-11,17-18H/t17-/m1/s1.
What are the key properties of 5-[1-[(R)-1-benzofuran-2-yl(phenyl)methyl]triazol-4-yl]-5H-tetrazole?
5-[1-[(R)-1-benzofuran-2-yl(phenyl)methyl]triazol-4-yl]-5H-tetrazole has a molecular weight of 343.35 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(R)-1-benzofuran-2-yl(phenyl)methyl]triazol-4-yl]-5H-tetrazole is sourced from PubChem (CID 174625245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).