1-[(4-phenylfuran-2-yl)methyl]benzotriazole

C17H13N3O — CID 3803047

IUPAC1-[(4-phenylfuran-2-yl)methyl]benzotriazole
SMILESc1ccc(-c2coc(Cn3nnc4ccccc43)c2)cc1
InChIInChI=1S/C17H13N3O/c1-2-6-13(7-3-1)14-10-15(21-12-14)11-20-17-9-5-4-8-16(17)18-19-20/h1-10,12H,11H2
InChIKeyYXHNGQPHFAFHRW-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.74
Rot. Bonds3

About 1-[(4-phenylfuran-2-yl)methyl]benzotriazole

1-[(4-phenylfuran-2-yl)methyl]benzotriazole (PubChem CID 3803047) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-[(4-phenylfuran-2-yl)methyl]benzotriazole.

Molecular Properties

Compound Name1-[(4-phenylfuran-2-yl)methyl]benzotriazole
PubChem CID3803047
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name1-[(4-phenylfuran-2-yl)methyl]benzotriazole
SMILESc1ccc(-c2coc(Cn3nnc4ccccc43)c2)cc1
InChIInChI=1S/C17H13N3O/c1-2-6-13(7-3-1)14-10-15(21-12-14)11-20-17-9-5-4-8-16(17)18-19-20/h1-10,12H,11H2
InChIKeyYXHNGQPHFAFHRW-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(4-phenylfuran-2-yl)methyl]benzotriazole 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

1-Propanone, 1-[4-[3-(1H-1,2,3-benzotriazol-1-yl)-2-hydroxypropoxy]phenyl]-
CID 5295166
2-[(2-Benzotriazol-1-yl-acetyl)-(tetrahydro-furan-2-ylmethyl)-amino]-N-furan-2-ylmethyl-2-o-tolyl-acetamide
CID 644932
2-[(2-Benzotriazol-1-yl-acetyl)-(4-methoxy-benzyl)-amino]-N-(2-methoxy-ethyl)-2-(5-methyl-furan-2-yl)-acetamide
CID 647835
2-[(2-Benzotriazol-1-yl-acetyl)-(tetrahydro-furan-2-ylmethyl)-amino]-N-furan-2-ylmethyl-2-p-tolyl-acetamide
CID 648318
2-[[2-(1-benzotriazolyl)-1-oxoethyl]-propan-2-ylamino]-2-(2,5-dimethoxyphenyl)-N-(2-furanylmethyl)acetamide
CID 649146
2-[(2-Benzotriazol-1-yl-acetyl)-(tetrahydro-furan-2-ylmethyl)-amino]-2-(4-fluoro-phenyl)-N-furan-2-ylmethyl-acetamide
CID 649285
2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(2-furanylmethyl)amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide
CID 650168
2-[(2-Benzotriazol-1-yl-acetyl)-furan-2-ylmethyl-amino]-N-cyclohexyl-2-(4-fluoro-phenyl)-acetamide
CID 651373
2-[(2-Benzotriazol-1-yl-acetyl)-benzyl-amino]-N-(2-methoxy-ethyl)-2-(5-methyl-furan-2-yl)-acetamide
CID 652484
2-[(2-Benzotriazol-1-yl-acetyl)-(4-methoxy-benzyl)-amino]-N-tert-butyl-2-furan-2-yl-acetamide
CID 654408
2-[(2-Benzotriazol-1-yl-acetyl)-(4-methoxy-benzyl)-amino]-2-furan-2-yl-N-(2-methoxy-ethyl)-acetamide
CID 654518
2-[(2-Benzotriazol-1-yl-acetyl)-(tetrahydro-furan-2-ylmethyl)-amino]-N-furan-2-ylmethyl-2-phenyl-acetamide
CID 654646

Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenylfuran-2-yl)methyl]benzotriazole?
The IUPAC name of 1-[(4-phenylfuran-2-yl)methyl]benzotriazole (CID 3803047) is 1-[(4-phenylfuran-2-yl)methyl]benzotriazole.
What is the SMILES notation for 1-[(4-phenylfuran-2-yl)methyl]benzotriazole?
The canonical SMILES for 1-[(4-phenylfuran-2-yl)methyl]benzotriazole is c1ccc(-c2coc(Cn3nnc4ccccc43)c2)cc1.
What is the InChIKey of 1-[(4-phenylfuran-2-yl)methyl]benzotriazole?
The InChIKey is YXHNGQPHFAFHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-2-6-13(7-3-1)14-10-15(21-12-14)11-20-17-9-5-4-8-16(17)18-19-20/h1-10,12H,11H2.
What are the key properties of 1-[(4-phenylfuran-2-yl)methyl]benzotriazole?
1-[(4-phenylfuran-2-yl)methyl]benzotriazole has a molecular weight of 275.31 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenylfuran-2-yl)methyl]benzotriazole is sourced from PubChem (CID 3803047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).