2-[furan-2-yl(phenyl)methyl]benzotriazole

C17H13N3O — CID 3831152

IUPAC2-[furan-2-yl(phenyl)methyl]benzotriazole
SMILESc1ccc(C(c2ccco2)n2nc3ccccc3n2)cc1
InChIInChI=1S/C17H13N3O/c1-2-7-13(8-3-1)17(16-11-6-12-21-16)20-18-14-9-4-5-10-15(14)19-20/h1-12,17H
InChIKeyWNBYYVCVFVDGJH-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.66
Rot. Bonds3

About 2-[furan-2-yl(phenyl)methyl]benzotriazole

2-[furan-2-yl(phenyl)methyl]benzotriazole (PubChem CID 3831152) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[furan-2-yl(phenyl)methyl]benzotriazole.

Molecular Properties

Compound Name2-[furan-2-yl(phenyl)methyl]benzotriazole
PubChem CID3831152
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name2-[furan-2-yl(phenyl)methyl]benzotriazole
SMILESc1ccc(C(c2ccco2)n2nc3ccccc3n2)cc1
InChIInChI=1S/C17H13N3O/c1-2-7-13(8-3-1)17(16-11-6-12-21-16)20-18-14-9-4-5-10-15(14)19-20/h1-12,17H
InChIKeyWNBYYVCVFVDGJH-UHFFFAOYSA-N
XLogP3.66
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Benzyl-3-(furan-2-yl)-1H-indazole
CID 11108551
2-(Benzotriazol-1-yloxy)-1-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 4879236
1-(1-(5-Methyl-4-phenylfuran-2-yl)pentyl)-1H-benzo[d][1,2,3]triazole
CID 3734330
1-[(4-Phenylfuran-2-yl)methyl]benzotriazole
CID 3803047
1-[(5-Methyl-4-phenyl-2-furanyl)methyl]-1H-benzotriazole
CID 3803048
1-[1-(1-Benzofuran-2-yl)-2-phenylethyl]benzotriazole
CID 3699537
1-(1-(4-(Tert-butyl)furan-2-yl)-2-phenylethyl)-1H-benzo[d][1,2,3]triazole
CID 15326666
Benzotriazolylmethylfuran
CID 129781672
3-(Furan-2-yl)-1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)triazol-2-yl]propan-1-one
CID 135032693
2-(4-Fluorophenyl)-5-(furan-2-yl)-6-methylbenzotriazole
CID 168525214
2-(4-Fluorophenyl)-5-(furan-2-yl)benzotriazole
CID 168526484
2-[3-(Furan-2-yl)-5-(2,2,2-trifluoroethoxy)phenyl]benzotriazole
CID 168526986

Frequently Asked Questions

What is the IUPAC name of 2-[furan-2-yl(phenyl)methyl]benzotriazole?
The IUPAC name of 2-[furan-2-yl(phenyl)methyl]benzotriazole (CID 3831152) is 2-[furan-2-yl(phenyl)methyl]benzotriazole.
What is the SMILES notation for 2-[furan-2-yl(phenyl)methyl]benzotriazole?
The canonical SMILES for 2-[furan-2-yl(phenyl)methyl]benzotriazole is c1ccc(C(c2ccco2)n2nc3ccccc3n2)cc1.
What is the InChIKey of 2-[furan-2-yl(phenyl)methyl]benzotriazole?
The InChIKey is WNBYYVCVFVDGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-2-7-13(8-3-1)17(16-11-6-12-21-16)20-18-14-9-4-5-10-15(14)19-20/h1-12,17H.
What are the key properties of 2-[furan-2-yl(phenyl)methyl]benzotriazole?
2-[furan-2-yl(phenyl)methyl]benzotriazole has a molecular weight of 275.31 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[furan-2-yl(phenyl)methyl]benzotriazole is sourced from PubChem (CID 3831152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).