5-chloro-3-[2-(4-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol

C18H17ClN2O2 — CID 136996187

IUPAC5-chloro-3-[2-(4-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol
SMILESCOc1ccc(CC/N=C/c2c(O)[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C18H17ClN2O2/c1-23-14-5-2-12(3-6-14)8-9-20-11-16-15-10-13(19)4-7-17(15)21-18(16)22/h2-7,10-11,21-22H,8-9H2,1H3/b20-11+
InChIKeyYTSDTXZTNYKPOZ-RGVLZGJSSA-N
MW328.80 g/mol
LogP4.20
Rot. Bonds5

About 5-chloro-3-[2-(4-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol

5-chloro-3-[2-(4-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol (PubChem CID 136996187) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 5-chloro-3-[2-(4-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-chloro-3-[2-(4-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol
PubChem CID136996187
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name5-chloro-3-[2-(4-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol
SMILESCOc1ccc(CC/N=C/c2c(O)[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C18H17ClN2O2/c1-23-14-5-2-12(3-6-14)8-9-20-11-16-15-10-13(19)4-7-17(15)21-18(16)22/h2-7,10-11,21-22H,8-9H2,1H3/b20-11+
InChIKeyYTSDTXZTNYKPOZ-RGVLZGJSSA-N
XLogP4.20
TPSA57.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-3-[2-(4-methoxyphenyl)ethyliminomethyl]-1H-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

5-chloro-3-[(4-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135481823
5-chloro-3-[(3,5-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135605392
3-[2-(3-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol
CID 136995960
5-chloro-3-[[4-(hydroxymethyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135482145
3-[(4-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996528
6-chloro-3-[2-(dimethylamino)ethyliminomethyl]-1H-indol-2-ol
CID 137006375
3-[2-(2-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol
CID 2859778
6-chloro-3-[(2,4-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 137006458
2-(2,5-dimethoxyphenyl)-3-hydroxy-4-[2-(4-methoxyphenyl)ethyliminomethyl]isoquinolin-1-one
CID 4890961
5-methoxy-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 136996373
5-chloro-3-(oxolan-2-ylmethyliminomethyl)-1H-indol-2-ol
CID 136996162
ethyl 5-chloro-3-[(4-methoxyphenyl)iminomethyl]-1H-indole-2-carboxylate
CID 135939797

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[2-(4-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol?
The IUPAC name of 5-chloro-3-[2-(4-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol (CID 136996187) is 5-chloro-3-[2-(4-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 5-chloro-3-[2-(4-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol?
The canonical SMILES for 5-chloro-3-[2-(4-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol is COc1ccc(CC/N=C/c2c(O)[nH]c3ccc(Cl)cc23)cc1.
What is the InChIKey of 5-chloro-3-[2-(4-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol?
The InChIKey is YTSDTXZTNYKPOZ-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-23-14-5-2-12(3-6-14)8-9-20-11-16-15-10-13(19)4-7-17(15)21-18(16)22/h2-7,10-11,21-22H,8-9H2,1H3/b20-11+.
What are the key properties of 5-chloro-3-[2-(4-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol?
5-chloro-3-[2-(4-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol has a molecular weight of 328.80 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[2-(4-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 136996187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).