1-benzyl-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol

C21H14Cl3N3O — CID 4989962

IUPAC1-benzyl-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol
SMILESOc1c(/N=N/c2c(Cl)cc(Cl)cc2Cl)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C21H14Cl3N3O/c22-14-10-16(23)20(17(24)11-14)26-25-19-15-8-4-5-9-18(15)27(21(19)28)12-13-6-2-1-3-7-13/h1-11,28H,12H2/b26-25+
InChIKeyLZEFSGMEDACULH-OCEACIFDSA-N
MW430.72 g/mol
LogP7.77
Rot. Bonds4

About 1-benzyl-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol

1-benzyl-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol (PubChem CID 4989962) has the molecular formula C21H14Cl3N3O and a molecular weight of 430.72 g/mol. Its IUPAC name is 1-benzyl-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol.

Molecular Properties

Compound Name1-benzyl-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol
PubChem CID4989962
Molecular FormulaC21H14Cl3N3O
Molecular Weight430.72 g/mol
Exact Mass429.02
IUPAC Name1-benzyl-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol
SMILESOc1c(/N=N/c2c(Cl)cc(Cl)cc2Cl)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C21H14Cl3N3O/c22-14-10-16(23)20(17(24)11-14)26-25-19-15-8-4-5-9-18(15)27(21(19)28)12-13-6-2-1-3-7-13/h1-11,28H,12H2/b26-25+
InChIKeyLZEFSGMEDACULH-OCEACIFDSA-N
XLogP7.77
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.72
LogP ≤ 57.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 1-benzyl-3-[(2,4,6-trichlorophenyl)diazenyl]indol-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

Related Compounds

N-(1-benzyl-2-hydroxyindol-3-yl)imino-5-chloro-2-hydroxybenzamide
CID 3532404
1-(1-benzyl-2-hydroxyindol-3-yl)iminoguanidine
CID 135754944
3-(1,3-benzothiazol-2-yldiazenyl)-1-benzylindol-2-ol
CID 3696181
1-benzyl-3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yldiazenyl)indol-2-ol
CID 135852419
N-(1-benzyl-2-hydroxyindol-3-yl)imino-4-chloro-3-nitrobenzamide
CID 3702673
4-amino-N-(1-benzyl-2-hydroxyindol-3-yl)iminobenzamide
CID 2642096
N-(1-benzyl-2-hydroxyindol-3-yl)imino-4-iodobenzamide
CID 4264049
2-[[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one
CID 135824234
3-(1,3-benzothiazol-2-yldiazenyl)-1-[(4-chlorophenyl)methyl]indol-2-ol
CID 4264321
N-(1-benzyl-5-chloro-2-hydroxyindol-3-yl)iminobenzenesulfonamide
CID 135537733
1-(1-benzyl-2-hydroxyindol-3-yl)imino-3-prop-2-enylthiourea
CID 3362907
1-benzyl-3-nitrosoindol-2-ol;5-fluoro-1-[(4-fluorophenyl)methyl]-3-nitrosoindol-2-ol
CID 161156786

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol?
The IUPAC name of 1-benzyl-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol (CID 4989962) is 1-benzyl-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol.
What is the SMILES notation for 1-benzyl-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol?
The canonical SMILES for 1-benzyl-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol is Oc1c(/N=N/c2c(Cl)cc(Cl)cc2Cl)c2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol?
The InChIKey is LZEFSGMEDACULH-OCEACIFDSA-N. The full InChI is InChI=1S/C21H14Cl3N3O/c22-14-10-16(23)20(17(24)11-14)26-25-19-15-8-4-5-9-18(15)27(21(19)28)12-13-6-2-1-3-7-13/h1-11,28H,12H2/b26-25+.
What are the key properties of 1-benzyl-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol?
1-benzyl-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol has a molecular weight of 430.72 g/mol, XLogP of 7.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol is sourced from PubChem (CID 4989962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).