2-(3-chloro-2-hydroxy-5-methylphenyl)-1H-indole-5-carboximidamide

C16H14ClN3O — CID 23646732

IUPAC2-(3-chloro-2-hydroxy-5-methylphenyl)-1H-indole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2[nH]c(-c3cc(C)cc(Cl)c3O)cc2c1
InChIInChI=1S/C16H14ClN3O/c1-8-4-11(15(21)12(17)5-8)14-7-10-6-9(16(18)19)2-3-13(10)20-14/h2-7,20-21H,1H3,(H3,18,19)
InChIKeyDJPZZIPELMVWNS-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.79
Rot. Bonds2

About 2-(3-chloro-2-hydroxy-5-methylphenyl)-1H-indole-5-carboximidamide

2-(3-chloro-2-hydroxy-5-methylphenyl)-1H-indole-5-carboximidamide (PubChem CID 23646732) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-(3-chloro-2-hydroxy-5-methylphenyl)-1H-indole-5-carboximidamide.

Molecular Properties

Compound Name2-(3-chloro-2-hydroxy-5-methylphenyl)-1H-indole-5-carboximidamide
PubChem CID23646732
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name2-(3-chloro-2-hydroxy-5-methylphenyl)-1H-indole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2[nH]c(-c3cc(C)cc(Cl)c3O)cc2c1
InChIInChI=1S/C16H14ClN3O/c1-8-4-11(15(21)12(17)5-8)14-7-10-6-9(16(18)19)2-3-13(10)20-14/h2-7,20-21H,1H3,(H3,18,19)
InChIKeyDJPZZIPELMVWNS-UHFFFAOYSA-N
XLogP3.79
TPSA85.89 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.79
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-(3-chloro-2-hydroxy-5-methylphenyl)-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-(3-chloro-2-hydroxy-5-methylphenyl)-1H-indole-5-carboximidamide?
The IUPAC name of 2-(3-chloro-2-hydroxy-5-methylphenyl)-1H-indole-5-carboximidamide (CID 23646732) is 2-(3-chloro-2-hydroxy-5-methylphenyl)-1H-indole-5-carboximidamide.
What is the SMILES notation for 2-(3-chloro-2-hydroxy-5-methylphenyl)-1H-indole-5-carboximidamide?
The canonical SMILES for 2-(3-chloro-2-hydroxy-5-methylphenyl)-1H-indole-5-carboximidamide is [H]/N=C(\N)c1ccc2[nH]c(-c3cc(C)cc(Cl)c3O)cc2c1.
What is the InChIKey of 2-(3-chloro-2-hydroxy-5-methylphenyl)-1H-indole-5-carboximidamide?
The InChIKey is DJPZZIPELMVWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-8-4-11(15(21)12(17)5-8)14-7-10-6-9(16(18)19)2-3-13(10)20-14/h2-7,20-21H,1H3,(H3,18,19).
What are the key properties of 2-(3-chloro-2-hydroxy-5-methylphenyl)-1H-indole-5-carboximidamide?
2-(3-chloro-2-hydroxy-5-methylphenyl)-1H-indole-5-carboximidamide has a molecular weight of 299.76 g/mol, XLogP of 3.79, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-hydroxy-5-methylphenyl)-1H-indole-5-carboximidamide is sourced from PubChem (CID 23646732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).