2-[[2-hydroxy-5-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenyl]-(3-methylsulfinylphenyl)methyl]-4-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenol

C26H24N10O3S — CID 135546269

IUPAC2-[[2-hydroxy-5-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenyl]-(3-methylsulfinylphenyl)methyl]-4-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenol
SMILESCc1nnnn1/N=C/c1ccc(O)c(C(c2cccc(S(C)=O)c2)c2cc(/C=N/n3nnnc3C)ccc2O)c1
InChIInChI=1S/C26H24N10O3S/c1-16-29-31-33-35(16)27-14-18-7-9-24(37)22(11-18)26(20-5-4-6-21(13-20)40(3)39)23-12-19(8-10-25(23)38)15-28-36-17(2)30-32-34-36/h4-15,26,37-38H,1-3H3/b27-14+,28-15+
InChIKeyVHHGWULNECSBOQ-VNRWOIRSSA-N
MW556.61 g/mol
LogP2.37
Rot. Bonds8

About 2-[[2-hydroxy-5-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenyl]-(3-methylsulfinylphenyl)methyl]-4-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenol

2-[[2-hydroxy-5-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenyl]-(3-methylsulfinylphenyl)methyl]-4-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenol (PubChem CID 135546269) has the molecular formula C26H24N10O3S and a molecular weight of 556.61 g/mol. Its IUPAC name is 2-[[2-hydroxy-5-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenyl]-(3-methylsulfinylphenyl)methyl]-4-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2-[[2-hydroxy-5-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenyl]-(3-methylsulfinylphenyl)methyl]-4-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenol
PubChem CID135546269
Molecular FormulaC26H24N10O3S
Molecular Weight556.61 g/mol
Exact Mass556.18
IUPAC Name2-[[2-hydroxy-5-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenyl]-(3-methylsulfinylphenyl)methyl]-4-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenol
SMILESCc1nnnn1/N=C/c1ccc(O)c(C(c2cccc(S(C)=O)c2)c2cc(/C=N/n3nnnc3C)ccc2O)c1
InChIInChI=1S/C26H24N10O3S/c1-16-29-31-33-35(16)27-14-18-7-9-24(37)22(11-18)26(20-5-4-6-21(13-20)40(3)39)23-12-19(8-10-25(23)38)15-28-36-17(2)30-32-34-36/h4-15,26,37-38H,1-3H3/b27-14+,28-15+
InChIKeyVHHGWULNECSBOQ-VNRWOIRSSA-N
XLogP2.37
TPSA169.45 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.61
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-[[2-hydroxy-5-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenyl]-(3-methylsulfinylphenyl)methyl]-4-[(E)-(5-methyltetrazol-1-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

Related Compounds

2-[[2-hydroxy-5-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenyl]-(3-propan-2-ylphenyl)methyl]-4-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenol
CID 135514650
2-[(5-methyltetrazol-1-yl)iminomethyl]phenol
CID 173379410
2-[(4-aminophenyl)-[2-hydroxy-4-[(5-methyltetrazol-1-yl)iminomethyl]phenyl]-phenylmethyl]-5-[(5-methyltetrazol-1-yl)iminomethyl]phenol
CID 57314188
2-[[2-hydroxy-5-[(E)-2-(1-methyltetrazol-5-yl)ethenyl]phenyl]-(4-hydroxyphenyl)methyl]-4-[(E)-2-(1-methyltetrazol-5-yl)ethenyl]phenol
CID 135484062
3-[bis[2-hydroxy-5-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenyl]methylidene]-N,N-bis(2-methoxyethyl)cyclohexa-1,5-diene-1-sulfonamide
CID 135535805
4-[(Z)-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]iminomethyl]benzene-1,2-diol
CID 136720854
1-[(E)-(4-methylphenyl)methylideneamino]tetrazol-5-amine
CID 5340519
4-[(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]-2-nitrophenol
CID 136832238
4-[[(4-amino-5-methyl-1,2,4-triazol-3-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 4175355
2-[4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-methoxyphenoxy]acetamide
CID 6858847
N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)methanimine
CID 761592
1-[(3-phenoxyphenyl)methylideneamino]tetrazol-5-amine
CID 662960

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-5-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenyl]-(3-methylsulfinylphenyl)methyl]-4-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenol?
The IUPAC name of 2-[[2-hydroxy-5-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenyl]-(3-methylsulfinylphenyl)methyl]-4-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenol (CID 135546269) is 2-[[2-hydroxy-5-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenyl]-(3-methylsulfinylphenyl)methyl]-4-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenol.
What is the SMILES notation for 2-[[2-hydroxy-5-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenyl]-(3-methylsulfinylphenyl)methyl]-4-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenol?
The canonical SMILES for 2-[[2-hydroxy-5-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenyl]-(3-methylsulfinylphenyl)methyl]-4-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenol is Cc1nnnn1/N=C/c1ccc(O)c(C(c2cccc(S(C)=O)c2)c2cc(/C=N/n3nnnc3C)ccc2O)c1.
What is the InChIKey of 2-[[2-hydroxy-5-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenyl]-(3-methylsulfinylphenyl)methyl]-4-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenol?
The InChIKey is VHHGWULNECSBOQ-VNRWOIRSSA-N. The full InChI is InChI=1S/C26H24N10O3S/c1-16-29-31-33-35(16)27-14-18-7-9-24(37)22(11-18)26(20-5-4-6-21(13-20)40(3)39)23-12-19(8-10-25(23)38)15-28-36-17(2)30-32-34-36/h4-15,26,37-38H,1-3H3/b27-14+,28-15+.
What are the key properties of 2-[[2-hydroxy-5-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenyl]-(3-methylsulfinylphenyl)methyl]-4-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenol?
2-[[2-hydroxy-5-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenyl]-(3-methylsulfinylphenyl)methyl]-4-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenol has a molecular weight of 556.61 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-5-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenyl]-(3-methylsulfinylphenyl)methyl]-4-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenol is sourced from PubChem (CID 135546269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).