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

C17H13N3O — CID 5142470

IUPAC1-[furan-2-yl(phenyl)methyl]benzotriazole
SMILESc1ccc(C(c2ccco2)n2nnc3ccccc32)cc1
InChIInChI=1S/C17H13N3O/c1-2-7-13(8-3-1)17(16-11-6-12-21-16)20-15-10-5-4-9-14(15)18-19-20/h1-12,17H
InChIKeyLFDCFIQZHRAHAR-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.66
Rot. Bonds3

About 1-[furan-2-yl(phenyl)methyl]benzotriazole

1-[furan-2-yl(phenyl)methyl]benzotriazole (PubChem CID 5142470) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-[furan-2-yl(phenyl)methyl]benzotriazole.

Molecular Properties

Compound Name1-[furan-2-yl(phenyl)methyl]benzotriazole
PubChem CID5142470
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name1-[furan-2-yl(phenyl)methyl]benzotriazole
SMILESc1ccc(C(c2ccco2)n2nnc3ccccc32)cc1
InChIInChI=1S/C17H13N3O/c1-2-7-13(8-3-1)17(16-11-6-12-21-16)20-15-10-5-4-9-14(15)18-19-20/h1-12,17H
InChIKeyLFDCFIQZHRAHAR-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-[phenyl(pyridin-2-yl)methyl]benzotriazole
CID 44890324
4-[benzotriazol-1-yl(phenyl)methyl]benzonitrile
CID 3409911
1-[phenoxy(phenyl)methyl]benzotriazole
CID 3778951
1-(1,2-diphenylethyl)benzotriazole
CID 3713183
N-[benzotriazol-1-yl(furan-2-yl)methyl]-N-trimethylsilyloctan-1-amine
CID 10386178
2-(benzotriazol-1-yl)-1-(furan-2-yl)-2-phenoxyethanone
CID 3455013
N-[2-(benzotriazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine
CID 62562505
1-(benzotriazol-1-yl)-2-methyl-N-(1-phenylethyl)propan-1-amine
CID 3726579
N-[(R)-benzotriazol-1-yl(phenyl)methyl]acetamide
CID 785376
1-[2-(benzotriazol-1-yl)-1,2-bis(phenylsulfanyl)ethyl]benzotriazole
CID 3750406
[benzotriazol-1-yl(methoxy)methyl]-trimethylsilane
CID 3780985
[benzotriazol-1-yl(phenylsulfanyl)methyl]-trimethylsilane
CID 4270717

Frequently Asked Questions

What is the IUPAC name of 1-[furan-2-yl(phenyl)methyl]benzotriazole?
The IUPAC name of 1-[furan-2-yl(phenyl)methyl]benzotriazole (CID 5142470) is 1-[furan-2-yl(phenyl)methyl]benzotriazole.
What is the SMILES notation for 1-[furan-2-yl(phenyl)methyl]benzotriazole?
The canonical SMILES for 1-[furan-2-yl(phenyl)methyl]benzotriazole is c1ccc(C(c2ccco2)n2nnc3ccccc32)cc1.
What is the InChIKey of 1-[furan-2-yl(phenyl)methyl]benzotriazole?
The InChIKey is LFDCFIQZHRAHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-2-7-13(8-3-1)17(16-11-6-12-21-16)20-15-10-5-4-9-14(15)18-19-20/h1-12,17H.
What are the key properties of 1-[furan-2-yl(phenyl)methyl]benzotriazole?
1-[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 1-[furan-2-yl(phenyl)methyl]benzotriazole is sourced from PubChem (CID 5142470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).