2-iodo-4-methyl-6-[(2-phenyl-3H-indol-6-yl)iminomethyl]phenol

C22H17IN2O — CID 158401781

IUPAC2-iodo-4-methyl-6-[(2-phenyl-3H-indol-6-yl)iminomethyl]phenol
SMILESCc1cc(I)c(O)c(/C=N/c2ccc3c(c2)N=C(c2ccccc2)C3)c1
InChIInChI=1S/C22H17IN2O/c1-14-9-17(22(26)19(23)10-14)13-24-18-8-7-16-11-20(25-21(16)12-18)15-5-3-2-4-6-15/h2-10,12-13,26H,11H2,1H3/b24-13+
InChIKeyGYEPIPIJBXKHPL-ZMOGYAJESA-N
MW452.30 g/mol
LogP5.73
Rot. Bonds3

About 2-iodo-4-methyl-6-[(2-phenyl-3H-indol-6-yl)iminomethyl]phenol

2-iodo-4-methyl-6-[(2-phenyl-3H-indol-6-yl)iminomethyl]phenol (PubChem CID 158401781) has the molecular formula C22H17IN2O and a molecular weight of 452.30 g/mol. Its IUPAC name is 2-iodo-4-methyl-6-[(2-phenyl-3H-indol-6-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2-iodo-4-methyl-6-[(2-phenyl-3H-indol-6-yl)iminomethyl]phenol
PubChem CID158401781
Molecular FormulaC22H17IN2O
Molecular Weight452.30 g/mol
Exact Mass452.04
IUPAC Name2-iodo-4-methyl-6-[(2-phenyl-3H-indol-6-yl)iminomethyl]phenol
SMILESCc1cc(I)c(O)c(/C=N/c2ccc3c(c2)N=C(c2ccccc2)C3)c1
InChIInChI=1S/C22H17IN2O/c1-14-9-17(22(26)19(23)10-14)13-24-18-8-7-16-11-20(25-21(16)12-18)15-5-3-2-4-6-15/h2-10,12-13,26H,11H2,1H3/b24-13+
InChIKeyGYEPIPIJBXKHPL-ZMOGYAJESA-N
XLogP5.73
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.30
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-iodo-4-methyl-6-[(2-phenyl-3H-indol-6-yl)iminomethyl]phenol 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-iodo-4-methyl-6-[(2-phenyl-3H-indol-6-yl)iminomethyl]phenol?
The IUPAC name of 2-iodo-4-methyl-6-[(2-phenyl-3H-indol-6-yl)iminomethyl]phenol (CID 158401781) is 2-iodo-4-methyl-6-[(2-phenyl-3H-indol-6-yl)iminomethyl]phenol.
What is the SMILES notation for 2-iodo-4-methyl-6-[(2-phenyl-3H-indol-6-yl)iminomethyl]phenol?
The canonical SMILES for 2-iodo-4-methyl-6-[(2-phenyl-3H-indol-6-yl)iminomethyl]phenol is Cc1cc(I)c(O)c(/C=N/c2ccc3c(c2)N=C(c2ccccc2)C3)c1.
What is the InChIKey of 2-iodo-4-methyl-6-[(2-phenyl-3H-indol-6-yl)iminomethyl]phenol?
The InChIKey is GYEPIPIJBXKHPL-ZMOGYAJESA-N. The full InChI is InChI=1S/C22H17IN2O/c1-14-9-17(22(26)19(23)10-14)13-24-18-8-7-16-11-20(25-21(16)12-18)15-5-3-2-4-6-15/h2-10,12-13,26H,11H2,1H3/b24-13+.
What are the key properties of 2-iodo-4-methyl-6-[(2-phenyl-3H-indol-6-yl)iminomethyl]phenol?
2-iodo-4-methyl-6-[(2-phenyl-3H-indol-6-yl)iminomethyl]phenol has a molecular weight of 452.30 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-methyl-6-[(2-phenyl-3H-indol-6-yl)iminomethyl]phenol is sourced from PubChem (CID 158401781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).