4-[[4-[(6-pentylpyridazin-3-yl)iminomethyl]phenyl]methylideneamino]phenol

C23H24N4O — CID 135553573

IUPAC4-[[4-[(6-pentylpyridazin-3-yl)iminomethyl]phenyl]methylideneamino]phenol
SMILESCCCCCc1ccc(/N=C/c2ccc(/C=N/c3ccc(O)cc3)cc2)nn1
InChIInChI=1S/C23H24N4O/c1-2-3-4-5-21-12-15-23(27-26-21)25-17-19-8-6-18(7-9-19)16-24-20-10-13-22(28)14-11-20/h6-17,28H,2-5H2,1H3/b24-16+,25-17+
InChIKeyLCRZLKJNKLCUDY-MUPYBJATSA-N
MW372.47 g/mol
LogP5.42
Rot. Bonds8

About 4-[[4-[(6-pentylpyridazin-3-yl)iminomethyl]phenyl]methylideneamino]phenol

4-[[4-[(6-pentylpyridazin-3-yl)iminomethyl]phenyl]methylideneamino]phenol (PubChem CID 135553573) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-[[4-[(6-pentylpyridazin-3-yl)iminomethyl]phenyl]methylideneamino]phenol.

Molecular Properties

Compound Name4-[[4-[(6-pentylpyridazin-3-yl)iminomethyl]phenyl]methylideneamino]phenol
PubChem CID135553573
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name4-[[4-[(6-pentylpyridazin-3-yl)iminomethyl]phenyl]methylideneamino]phenol
SMILESCCCCCc1ccc(/N=C/c2ccc(/C=N/c3ccc(O)cc3)cc2)nn1
InChIInChI=1S/C23H24N4O/c1-2-3-4-5-21-12-15-23(27-26-21)25-17-19-8-6-18(7-9-19)16-24-20-10-13-22(28)14-11-20/h6-17,28H,2-5H2,1H3/b24-16+,25-17+
InChIKeyLCRZLKJNKLCUDY-MUPYBJATSA-N
XLogP5.42
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-[4-[[4-[(6-pentylpyridazin-3-yl)iminomethyl]phenyl]methylideneamino]phenoxy]heptyl prop-2-enoate
CID 20721764
4-[(4-dodecoxyphenyl)methylideneamino]phenol
CID 18443748
1-(4-hexylphenyl)-N-[4-[(4-hexylphenyl)methylideneamino]phenyl]methanimine
CID 71385175
4-[[4-[[4-[(4-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol
CID 3085874
1-(4-ethenylphenyl)-N-(4-nonylphenyl)methanimine
CID 143730274
N-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine
CID 101374448
1-(4-pentoxyphenyl)-N-[4-[8-[4-[(4-pentoxyphenyl)methylideneamino]phenyl]octyl]phenyl]methanimine
CID 101084662
N-(4-decylphenyl)-1-(4-pentadecoxyphenyl)methanimine
CID 101243686
1-(4-hexoxyphenyl)-N-(4-nonylphenyl)methanimine
CID 2753464
4-[(4-decylphenyl)iminomethyl]benzonitrile
CID 21396735
1-(4-ethoxyphenyl)-N-(4-hexylphenyl)methanimine
CID 4065401
1-(4-ethoxyphenyl)-N-(4-hexadecylphenyl)methanimine
CID 86093718

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(6-pentylpyridazin-3-yl)iminomethyl]phenyl]methylideneamino]phenol?
The IUPAC name of 4-[[4-[(6-pentylpyridazin-3-yl)iminomethyl]phenyl]methylideneamino]phenol (CID 135553573) is 4-[[4-[(6-pentylpyridazin-3-yl)iminomethyl]phenyl]methylideneamino]phenol.
What is the SMILES notation for 4-[[4-[(6-pentylpyridazin-3-yl)iminomethyl]phenyl]methylideneamino]phenol?
The canonical SMILES for 4-[[4-[(6-pentylpyridazin-3-yl)iminomethyl]phenyl]methylideneamino]phenol is CCCCCc1ccc(/N=C/c2ccc(/C=N/c3ccc(O)cc3)cc2)nn1.
What is the InChIKey of 4-[[4-[(6-pentylpyridazin-3-yl)iminomethyl]phenyl]methylideneamino]phenol?
The InChIKey is LCRZLKJNKLCUDY-MUPYBJATSA-N. The full InChI is InChI=1S/C23H24N4O/c1-2-3-4-5-21-12-15-23(27-26-21)25-17-19-8-6-18(7-9-19)16-24-20-10-13-22(28)14-11-20/h6-17,28H,2-5H2,1H3/b24-16+,25-17+.
What are the key properties of 4-[[4-[(6-pentylpyridazin-3-yl)iminomethyl]phenyl]methylideneamino]phenol?
4-[[4-[(6-pentylpyridazin-3-yl)iminomethyl]phenyl]methylideneamino]phenol has a molecular weight of 372.47 g/mol, XLogP of 5.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(6-pentylpyridazin-3-yl)iminomethyl]phenyl]methylideneamino]phenol is sourced from PubChem (CID 135553573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).