3-[2-[4-(4-pentylphenyl)triazol-1-yl]ethyl]-1H-indole

C23H26N4 — CID 24789338

IUPAC3-[2-[4-(4-pentylphenyl)triazol-1-yl]ethyl]-1H-indole
SMILESCCCCCc1ccc(-c2cn(CCc3c[nH]c4ccccc34)nn2)cc1
InChIInChI=1S/C23H26N4/c1-2-3-4-7-18-10-12-19(13-11-18)23-17-27(26-25-23)15-14-20-16-24-22-9-6-5-8-21(20)22/h5-6,8-13,16-17,24H,2-4,7,14-15H2,1H3
InChIKeyWWXSVOKEIVKPAF-UHFFFAOYSA-N
MW358.49 g/mol
LogP5.40
Rot. Bonds8

About 3-[2-[4-(4-pentylphenyl)triazol-1-yl]ethyl]-1H-indole

3-[2-[4-(4-pentylphenyl)triazol-1-yl]ethyl]-1H-indole (PubChem CID 24789338) has the molecular formula C23H26N4 and a molecular weight of 358.49 g/mol. Its IUPAC name is 3-[2-[4-(4-pentylphenyl)triazol-1-yl]ethyl]-1H-indole.

Molecular Properties

Compound Name3-[2-[4-(4-pentylphenyl)triazol-1-yl]ethyl]-1H-indole
PubChem CID24789338
Molecular FormulaC23H26N4
Molecular Weight358.49 g/mol
Exact Mass358.22
IUPAC Name3-[2-[4-(4-pentylphenyl)triazol-1-yl]ethyl]-1H-indole
SMILESCCCCCc1ccc(-c2cn(CCc3c[nH]c4ccccc34)nn2)cc1
InChIInChI=1S/C23H26N4/c1-2-3-4-7-18-10-12-19(13-11-18)23-17-27(26-25-23)15-14-20-16-24-22-9-6-5-8-21(20)22/h5-6,8-13,16-17,24H,2-4,7,14-15H2,1H3
InChIKeyWWXSVOKEIVKPAF-UHFFFAOYSA-N
XLogP5.40
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-[4-(4-pentylphenyl)triazol-1-yl]ethyl]-1H-indole 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 3-[2-[4-(4-pentylphenyl)triazol-1-yl]ethyl]-1H-indole?
The IUPAC name of 3-[2-[4-(4-pentylphenyl)triazol-1-yl]ethyl]-1H-indole (CID 24789338) is 3-[2-[4-(4-pentylphenyl)triazol-1-yl]ethyl]-1H-indole.
What is the SMILES notation for 3-[2-[4-(4-pentylphenyl)triazol-1-yl]ethyl]-1H-indole?
The canonical SMILES for 3-[2-[4-(4-pentylphenyl)triazol-1-yl]ethyl]-1H-indole is CCCCCc1ccc(-c2cn(CCc3c[nH]c4ccccc34)nn2)cc1.
What is the InChIKey of 3-[2-[4-(4-pentylphenyl)triazol-1-yl]ethyl]-1H-indole?
The InChIKey is WWXSVOKEIVKPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4/c1-2-3-4-7-18-10-12-19(13-11-18)23-17-27(26-25-23)15-14-20-16-24-22-9-6-5-8-21(20)22/h5-6,8-13,16-17,24H,2-4,7,14-15H2,1H3.
What are the key properties of 3-[2-[4-(4-pentylphenyl)triazol-1-yl]ethyl]-1H-indole?
3-[2-[4-(4-pentylphenyl)triazol-1-yl]ethyl]-1H-indole has a molecular weight of 358.49 g/mol, XLogP of 5.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(4-pentylphenyl)triazol-1-yl]ethyl]-1H-indole is sourced from PubChem (CID 24789338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).