1-[(5-methyl-4-phenylfuran-2-yl)methyl]benzotriazole

C18H15N3O — CID 3803048

IUPAC1-[(5-methyl-4-phenylfuran-2-yl)methyl]benzotriazole
SMILESCc1oc(Cn2nnc3ccccc32)cc1-c1ccccc1
InChIInChI=1S/C18H15N3O/c1-13-16(14-7-3-2-4-8-14)11-15(22-13)12-21-18-10-6-5-9-17(18)19-20-21/h2-11H,12H2,1H3
InChIKeyPKNOAWHDZXGNAG-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.05
Rot. Bonds3

About 1-[(5-methyl-4-phenylfuran-2-yl)methyl]benzotriazole

1-[(5-methyl-4-phenylfuran-2-yl)methyl]benzotriazole (PubChem CID 3803048) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[(5-methyl-4-phenylfuran-2-yl)methyl]benzotriazole.

Molecular Properties

Compound Name1-[(5-methyl-4-phenylfuran-2-yl)methyl]benzotriazole
PubChem CID3803048
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name1-[(5-methyl-4-phenylfuran-2-yl)methyl]benzotriazole
SMILESCc1oc(Cn2nnc3ccccc32)cc1-c1ccccc1
InChIInChI=1S/C18H15N3O/c1-13-16(14-7-3-2-4-8-14)11-15(22-13)12-21-18-10-6-5-9-17(18)19-20-21/h2-11H,12H2,1H3
InChIKeyPKNOAWHDZXGNAG-UHFFFAOYSA-N
XLogP4.05
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-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)-(tetrahydro-furan-2-ylmethyl)-amino]-N-furan-2-ylmethyl-2-phenyl-acetamide
CID 654646
2-[(2-Benzotriazol-1-yl-acetyl)-(4-fluoro-benzyl)-amino]-N-(2-methoxy-ethyl)-2-(5-methyl-furan-2-yl)-acetamide
CID 655899
1-[4-[3-(Benzotriazol-1-yl)-2-hydroxypropoxy]phenyl]ethanone
CID 2917526
2-[(2-Benzotriazol-1-yl-acetyl)-furan-2-ylmethyl-amino]-N-(1,1-dimethyl-propyl)-2-p-tolyl-acetamide
CID 3196306

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-4-phenylfuran-2-yl)methyl]benzotriazole?
The IUPAC name of 1-[(5-methyl-4-phenylfuran-2-yl)methyl]benzotriazole (CID 3803048) is 1-[(5-methyl-4-phenylfuran-2-yl)methyl]benzotriazole.
What is the SMILES notation for 1-[(5-methyl-4-phenylfuran-2-yl)methyl]benzotriazole?
The canonical SMILES for 1-[(5-methyl-4-phenylfuran-2-yl)methyl]benzotriazole is Cc1oc(Cn2nnc3ccccc32)cc1-c1ccccc1.
What is the InChIKey of 1-[(5-methyl-4-phenylfuran-2-yl)methyl]benzotriazole?
The InChIKey is PKNOAWHDZXGNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-13-16(14-7-3-2-4-8-14)11-15(22-13)12-21-18-10-6-5-9-17(18)19-20-21/h2-11H,12H2,1H3.
What are the key properties of 1-[(5-methyl-4-phenylfuran-2-yl)methyl]benzotriazole?
1-[(5-methyl-4-phenylfuran-2-yl)methyl]benzotriazole has a molecular weight of 289.34 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-4-phenylfuran-2-yl)methyl]benzotriazole is sourced from PubChem (CID 3803048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).