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

C22H23N3O — CID 3734330

IUPAC1-[1-(5-methyl-4-phenylfuran-2-yl)pentyl]benzotriazole
SMILESCCCCC(c1cc(-c2ccccc2)c(C)o1)n1nnc2ccccc21
InChIInChI=1S/C22H23N3O/c1-3-4-13-21(25-20-14-9-8-12-19(20)23-24-25)22-15-18(16(2)26-22)17-10-6-5-7-11-17/h5-12,14-15,21H,3-4,13H2,1-2H3
InChIKeyAOHSRQTZTZFMKU-UHFFFAOYSA-N
MW345.45 g/mol
LogP5.78
Rot. Bonds6

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

1-[1-(5-methyl-4-phenylfuran-2-yl)pentyl]benzotriazole (PubChem CID 3734330) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-[1-(5-methyl-4-phenylfuran-2-yl)pentyl]benzotriazole.

Molecular Properties

Compound Name1-[1-(5-methyl-4-phenylfuran-2-yl)pentyl]benzotriazole
PubChem CID3734330
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name1-[1-(5-methyl-4-phenylfuran-2-yl)pentyl]benzotriazole
SMILESCCCCC(c1cc(-c2ccccc2)c(C)o1)n1nnc2ccccc21
InChIInChI=1S/C22H23N3O/c1-3-4-13-21(25-20-14-9-8-12-19(20)23-24-25)22-15-18(16(2)26-22)17-10-6-5-7-11-17/h5-12,14-15,21H,3-4,13H2,1-2H3
InChIKeyAOHSRQTZTZFMKU-UHFFFAOYSA-N
XLogP5.78
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.45
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-(5-methyl-4-phenylfuran-2-yl)pentyl]benzotriazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methyl-4-phenylfuran-2-yl)pentyl]benzotriazole?
The IUPAC name of 1-[1-(5-methyl-4-phenylfuran-2-yl)pentyl]benzotriazole (CID 3734330) is 1-[1-(5-methyl-4-phenylfuran-2-yl)pentyl]benzotriazole.
What is the SMILES notation for 1-[1-(5-methyl-4-phenylfuran-2-yl)pentyl]benzotriazole?
The canonical SMILES for 1-[1-(5-methyl-4-phenylfuran-2-yl)pentyl]benzotriazole is CCCCC(c1cc(-c2ccccc2)c(C)o1)n1nnc2ccccc21.
What is the InChIKey of 1-[1-(5-methyl-4-phenylfuran-2-yl)pentyl]benzotriazole?
The InChIKey is AOHSRQTZTZFMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-3-4-13-21(25-20-14-9-8-12-19(20)23-24-25)22-15-18(16(2)26-22)17-10-6-5-7-11-17/h5-12,14-15,21H,3-4,13H2,1-2H3.
What are the key properties of 1-[1-(5-methyl-4-phenylfuran-2-yl)pentyl]benzotriazole?
1-[1-(5-methyl-4-phenylfuran-2-yl)pentyl]benzotriazole has a molecular weight of 345.45 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methyl-4-phenylfuran-2-yl)pentyl]benzotriazole is sourced from PubChem (CID 3734330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).