4-benzyl-2-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol

C29H24N2O2 — CID 4021463

IUPAC4-benzyl-2-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
SMILESCc1ccc2oc(-c3ccc(C)c(/N=C/c4cc(Cc5ccccc5)ccc4O)c3)nc2c1
InChIInChI=1S/C29H24N2O2/c1-19-8-13-28-26(14-19)31-29(33-28)23-11-9-20(2)25(17-23)30-18-24-16-22(10-12-27(24)32)15-21-6-4-3-5-7-21/h3-14,16-18,32H,15H2,1-2H3/b30-18+
InChIKeyUDGKOAXEYSJPQD-UXHLAJHPSA-N
MW432.52 g/mol
LogP7.16
Rot. Bonds5

About 4-benzyl-2-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol

4-benzyl-2-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol (PubChem CID 4021463) has the molecular formula C29H24N2O2 and a molecular weight of 432.52 g/mol. Its IUPAC name is 4-benzyl-2-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-benzyl-2-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
PubChem CID4021463
Molecular FormulaC29H24N2O2
Molecular Weight432.52 g/mol
Exact Mass432.18
IUPAC Name4-benzyl-2-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
SMILESCc1ccc2oc(-c3ccc(C)c(/N=C/c4cc(Cc5ccccc5)ccc4O)c3)nc2c1
InChIInChI=1S/C29H24N2O2/c1-19-8-13-28-26(14-19)31-29(33-28)23-11-9-20(2)25(17-23)30-18-24-16-22(10-12-27(24)32)15-21-6-4-3-5-7-21/h3-14,16-18,32H,15H2,1-2H3/b30-18+
InChIKeyUDGKOAXEYSJPQD-UXHLAJHPSA-N
XLogP7.16
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-benzyl-2-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]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

4-benzyl-2-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
CID 5222993
2-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
CID 135713338
4-benzyl-2-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]iminomethyl]-6-nitrophenol
CID 4015317
2,4-dichloro-6-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
CID 3096849
2-[[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-methylphenol
CID 3503119
2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
CID 135720813
2-ethoxy-6-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
CID 1206273
4-benzyl-2-[(3-chloro-4-methylphenyl)iminomethyl]phenol
CID 4141686
4-bromo-2-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
CID 3546210
2-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]iminomethyl]-4,6-diiodophenol
CID 2840728
N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1-phenylmethanimine
CID 555899
2-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]iminomethyl]-4-bromophenol
CID 135610237

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol?
The IUPAC name of 4-benzyl-2-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol (CID 4021463) is 4-benzyl-2-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 4-benzyl-2-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol?
The canonical SMILES for 4-benzyl-2-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol is Cc1ccc2oc(-c3ccc(C)c(/N=C/c4cc(Cc5ccccc5)ccc4O)c3)nc2c1.
What is the InChIKey of 4-benzyl-2-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol?
The InChIKey is UDGKOAXEYSJPQD-UXHLAJHPSA-N. The full InChI is InChI=1S/C29H24N2O2/c1-19-8-13-28-26(14-19)31-29(33-28)23-11-9-20(2)25(17-23)30-18-24-16-22(10-12-27(24)32)15-21-6-4-3-5-7-21/h3-14,16-18,32H,15H2,1-2H3/b30-18+.
What are the key properties of 4-benzyl-2-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol?
4-benzyl-2-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol has a molecular weight of 432.52 g/mol, XLogP of 7.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 4021463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).