2-[(4-hydroxyphenyl)methyl]-4-[4-[2-(1H-imidazol-2-yl)ethyl]-2,6-diiodophenoxy]phenol;hydrochloride

C24H21ClI2N2O3 — CID 44537337

IUPAC2-[(4-hydroxyphenyl)methyl]-4-[4-[2-(1H-imidazol-2-yl)ethyl]-2,6-diiodophenoxy]phenol;hydrochloride
SMILESCl.Oc1ccc(Cc2cc(Oc3c(I)cc(CCc4ncc[nH]4)cc3I)ccc2O)cc1
InChIInChI=1S/C24H20I2N2O3.ClH/c25-20-12-16(3-8-23-27-9-10-28-23)13-21(26)24(20)31-19-6-7-22(30)17(14-19)11-15-1-4-18(29)5-2-15;/h1-2,4-7,9-10,12-14,29-30H,3,8,11H2,(H,27,28);1H
InChIKeyQGZLPEJCZSIPRJ-UHFFFAOYSA-N
MW674.70 g/mol
LogP6.62
Rot. Bonds7

About 2-[(4-hydroxyphenyl)methyl]-4-[4-[2-(1H-imidazol-2-yl)ethyl]-2,6-diiodophenoxy]phenol;hydrochloride

2-[(4-hydroxyphenyl)methyl]-4-[4-[2-(1H-imidazol-2-yl)ethyl]-2,6-diiodophenoxy]phenol;hydrochloride (PubChem CID 44537337) has the molecular formula C24H21ClI2N2O3 and a molecular weight of 674.70 g/mol. Its IUPAC name is 2-[(4-hydroxyphenyl)methyl]-4-[4-[2-(1H-imidazol-2-yl)ethyl]-2,6-diiodophenoxy]phenol;hydrochloride.

Molecular Properties

Compound Name2-[(4-hydroxyphenyl)methyl]-4-[4-[2-(1H-imidazol-2-yl)ethyl]-2,6-diiodophenoxy]phenol;hydrochloride
PubChem CID44537337
Molecular FormulaC24H21ClI2N2O3
Molecular Weight674.70 g/mol
Exact Mass673.93
IUPAC Name2-[(4-hydroxyphenyl)methyl]-4-[4-[2-(1H-imidazol-2-yl)ethyl]-2,6-diiodophenoxy]phenol;hydrochloride
SMILESCl.Oc1ccc(Cc2cc(Oc3c(I)cc(CCc4ncc[nH]4)cc3I)ccc2O)cc1
InChIInChI=1S/C24H20I2N2O3.ClH/c25-20-12-16(3-8-23-27-9-10-28-23)13-21(26)24(20)31-19-6-7-22(30)17(14-19)11-15-1-4-18(29)5-2-15;/h1-2,4-7,9-10,12-14,29-30H,3,8,11H2,(H,27,28);1H
InChIKeyQGZLPEJCZSIPRJ-UHFFFAOYSA-N
XLogP6.62
TPSA78.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.70
LogP ≤ 56.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(4-hydroxyphenyl)methyl]-4-[4-[2-(1H-imidazol-2-yl)ethyl]-2,6-diiodophenoxy]phenol;hydrochloride 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

Lepidine D
CID 100927766
Lepidine B
CID 100927764
Lepidine C
CID 100927765
Lepidine E
CID 100927767
2-[3-(4-hydroxyphenyl)propyl]-4-[4-[2-(1H-imidazol-2-yl)ethyl]-2,6-diiodophenoxy]phenol;hydrochloride
CID 44537341
4-[(Z)-1-[4-(2-aminoethoxy)phenyl]-3-imidazol-1-yl-2-phenylprop-1-enyl]phenol
CID 118735373
4-[4-[3-(1H-imidazol-2-yl)propyl]-2,6-diiodophenoxy]-2-propan-2-ylphenol;hydrochloride
CID 44537339
(1S)-2-(4-(benzyloxy)phenyl)-1-(1H-imidazol-2-yl)ethan-1-amine dihydrochloride
CID 165978090
(1S)-2-[4-(benzyloxy)phenyl]-1-(1H-imidazol-2-yl)ethan-1-amine
CID 57602377
2-[2-[2-(2-fluorophenyl)-4-propan-2-yloxyphenyl]ethyl]-1H-imidazole
CID 91516820
[4-fluoro-3-(2-methylphenoxy)phenyl]-(1H-imidazol-2-yl)methanol
CID 166967205
2-[(4-hydroxyphenyl)methyl]-4-[4-[2-(1H-imidazol-2-yl)ethyl]-2,6-diiodophenoxy]phenol
CID 44537338

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyphenyl)methyl]-4-[4-[2-(1H-imidazol-2-yl)ethyl]-2,6-diiodophenoxy]phenol;hydrochloride?
The IUPAC name of 2-[(4-hydroxyphenyl)methyl]-4-[4-[2-(1H-imidazol-2-yl)ethyl]-2,6-diiodophenoxy]phenol;hydrochloride (CID 44537337) is 2-[(4-hydroxyphenyl)methyl]-4-[4-[2-(1H-imidazol-2-yl)ethyl]-2,6-diiodophenoxy]phenol;hydrochloride.
What is the SMILES notation for 2-[(4-hydroxyphenyl)methyl]-4-[4-[2-(1H-imidazol-2-yl)ethyl]-2,6-diiodophenoxy]phenol;hydrochloride?
The canonical SMILES for 2-[(4-hydroxyphenyl)methyl]-4-[4-[2-(1H-imidazol-2-yl)ethyl]-2,6-diiodophenoxy]phenol;hydrochloride is Cl.Oc1ccc(Cc2cc(Oc3c(I)cc(CCc4ncc[nH]4)cc3I)ccc2O)cc1.
What is the InChIKey of 2-[(4-hydroxyphenyl)methyl]-4-[4-[2-(1H-imidazol-2-yl)ethyl]-2,6-diiodophenoxy]phenol;hydrochloride?
The InChIKey is QGZLPEJCZSIPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20I2N2O3.ClH/c25-20-12-16(3-8-23-27-9-10-28-23)13-21(26)24(20)31-19-6-7-22(30)17(14-19)11-15-1-4-18(29)5-2-15;/h1-2,4-7,9-10,12-14,29-30H,3,8,11H2,(H,27,28);1H.
What are the key properties of 2-[(4-hydroxyphenyl)methyl]-4-[4-[2-(1H-imidazol-2-yl)ethyl]-2,6-diiodophenoxy]phenol;hydrochloride?
2-[(4-hydroxyphenyl)methyl]-4-[4-[2-(1H-imidazol-2-yl)ethyl]-2,6-diiodophenoxy]phenol;hydrochloride has a molecular weight of 674.70 g/mol, XLogP of 6.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyphenyl)methyl]-4-[4-[2-(1H-imidazol-2-yl)ethyl]-2,6-diiodophenoxy]phenol;hydrochloride is sourced from PubChem (CID 44537337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).