2-(2-hydroxy-3-phenylphenyl)-6-methyl-1H-indole-5-carboximidamide

C22H19N3O — CID 10871563

IUPAC2-(2-hydroxy-3-phenylphenyl)-6-methyl-1H-indole-5-carboximidamide
SMILES[H]/N=C(\N)c1cc2cc(-c3cccc(-c4ccccc4)c3O)[nH]c2cc1C
InChIInChI=1S/C22H19N3O/c1-13-10-19-15(11-18(13)22(23)24)12-20(25-19)17-9-5-8-16(21(17)26)14-6-3-2-4-7-14/h2-12,25-26H,1H3,(H3,23,24)
InChIKeyQRPASZARTYLGAR-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.80
Rot. Bonds3

About 2-(2-hydroxy-3-phenylphenyl)-6-methyl-1H-indole-5-carboximidamide

2-(2-hydroxy-3-phenylphenyl)-6-methyl-1H-indole-5-carboximidamide (PubChem CID 10871563) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(2-hydroxy-3-phenylphenyl)-6-methyl-1H-indole-5-carboximidamide.

Molecular Properties

Compound Name2-(2-hydroxy-3-phenylphenyl)-6-methyl-1H-indole-5-carboximidamide
PubChem CID10871563
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name2-(2-hydroxy-3-phenylphenyl)-6-methyl-1H-indole-5-carboximidamide
SMILES[H]/N=C(\N)c1cc2cc(-c3cccc(-c4ccccc4)c3O)[nH]c2cc1C
InChIInChI=1S/C22H19N3O/c1-13-10-19-15(11-18(13)22(23)24)12-20(25-19)17-9-5-8-16(21(17)26)14-6-3-2-4-7-14/h2-12,25-26H,1H3,(H3,23,24)
InChIKeyQRPASZARTYLGAR-UHFFFAOYSA-N
XLogP4.80
TPSA85.89 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(2-hydroxy-3-phenylphenyl)-6-methyl-1H-indole-5-carboximidamide 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 2-(2-hydroxy-3-phenylphenyl)-6-methyl-1H-indole-5-carboximidamide?
The IUPAC name of 2-(2-hydroxy-3-phenylphenyl)-6-methyl-1H-indole-5-carboximidamide (CID 10871563) is 2-(2-hydroxy-3-phenylphenyl)-6-methyl-1H-indole-5-carboximidamide.
What is the SMILES notation for 2-(2-hydroxy-3-phenylphenyl)-6-methyl-1H-indole-5-carboximidamide?
The canonical SMILES for 2-(2-hydroxy-3-phenylphenyl)-6-methyl-1H-indole-5-carboximidamide is [H]/N=C(\N)c1cc2cc(-c3cccc(-c4ccccc4)c3O)[nH]c2cc1C.
What is the InChIKey of 2-(2-hydroxy-3-phenylphenyl)-6-methyl-1H-indole-5-carboximidamide?
The InChIKey is QRPASZARTYLGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-13-10-19-15(11-18(13)22(23)24)12-20(25-19)17-9-5-8-16(21(17)26)14-6-3-2-4-7-14/h2-12,25-26H,1H3,(H3,23,24).
What are the key properties of 2-(2-hydroxy-3-phenylphenyl)-6-methyl-1H-indole-5-carboximidamide?
2-(2-hydroxy-3-phenylphenyl)-6-methyl-1H-indole-5-carboximidamide has a molecular weight of 341.41 g/mol, XLogP of 4.80, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-phenylphenyl)-6-methyl-1H-indole-5-carboximidamide is sourced from PubChem (CID 10871563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).