1-(benzotriazol-1-yl)-1-indol-1-ylpentan-2-ol

C19H20N4O — CID 3802975

IUPAC1-(benzotriazol-1-yl)-1-indol-1-ylpentan-2-ol
SMILESCCCC(O)C(n1ccc2ccccc21)n1nnc2ccccc21
InChIInChI=1S/C19H20N4O/c1-2-7-18(24)19(22-13-12-14-8-3-5-10-16(14)22)23-17-11-6-4-9-15(17)20-21-23/h3-6,8-13,18-19,24H,2,7H2,1H3
InChIKeyHUYJDXRCJAWSBV-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.59
Rot. Bonds5

About 1-(benzotriazol-1-yl)-1-indol-1-ylpentan-2-ol

1-(benzotriazol-1-yl)-1-indol-1-ylpentan-2-ol (PubChem CID 3802975) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-(benzotriazol-1-yl)-1-indol-1-ylpentan-2-ol.

Molecular Properties

Compound Name1-(benzotriazol-1-yl)-1-indol-1-ylpentan-2-ol
PubChem CID3802975
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1-(benzotriazol-1-yl)-1-indol-1-ylpentan-2-ol
SMILESCCCC(O)C(n1ccc2ccccc21)n1nnc2ccccc21
InChIInChI=1S/C19H20N4O/c1-2-7-18(24)19(22-13-12-14-8-3-5-10-16(14)22)23-17-11-6-4-9-15(17)20-21-23/h3-6,8-13,18-19,24H,2,7H2,1H3
InChIKeyHUYJDXRCJAWSBV-UHFFFAOYSA-N
XLogP3.59
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(benzotriazol-1-yl)-1-indol-1-ylpentan-2-ol 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-(benzotriazol-1-yl)-1-indol-1-ylpentan-2-ol?
The IUPAC name of 1-(benzotriazol-1-yl)-1-indol-1-ylpentan-2-ol (CID 3802975) is 1-(benzotriazol-1-yl)-1-indol-1-ylpentan-2-ol.
What is the SMILES notation for 1-(benzotriazol-1-yl)-1-indol-1-ylpentan-2-ol?
The canonical SMILES for 1-(benzotriazol-1-yl)-1-indol-1-ylpentan-2-ol is CCCC(O)C(n1ccc2ccccc21)n1nnc2ccccc21.
What is the InChIKey of 1-(benzotriazol-1-yl)-1-indol-1-ylpentan-2-ol?
The InChIKey is HUYJDXRCJAWSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-2-7-18(24)19(22-13-12-14-8-3-5-10-16(14)22)23-17-11-6-4-9-15(17)20-21-23/h3-6,8-13,18-19,24H,2,7H2,1H3.
What are the key properties of 1-(benzotriazol-1-yl)-1-indol-1-ylpentan-2-ol?
1-(benzotriazol-1-yl)-1-indol-1-ylpentan-2-ol has a molecular weight of 320.40 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzotriazol-1-yl)-1-indol-1-ylpentan-2-ol is sourced from PubChem (CID 3802975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).