2,4-dichloro-6-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol

C22H16Cl2N2O2 — CID 3096849

IUPAC2,4-dichloro-6-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
SMILESCc1ccc2oc(-c3ccc(C)c(/N=C/c4cc(Cl)cc(Cl)c4O)c3)nc2c1
InChIInChI=1S/C22H16Cl2N2O2/c1-12-3-6-20-19(7-12)26-22(28-20)14-5-4-13(2)18(9-14)25-11-15-8-16(23)10-17(24)21(15)27/h3-11,27H,1-2H3/b25-11+
InChIKeyQVNGHLNHIOPLFI-OPEKNORGSA-N
MW411.29 g/mol
LogP6.87
Rot. Bonds3

About 2,4-dichloro-6-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol

2,4-dichloro-6-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol (PubChem CID 3096849) has the molecular formula C22H16Cl2N2O2 and a molecular weight of 411.29 g/mol. Its IUPAC name is 2,4-dichloro-6-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
PubChem CID3096849
Molecular FormulaC22H16Cl2N2O2
Molecular Weight411.29 g/mol
Exact Mass410.06
IUPAC Name2,4-dichloro-6-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
SMILESCc1ccc2oc(-c3ccc(C)c(/N=C/c4cc(Cl)cc(Cl)c4O)c3)nc2c1
InChIInChI=1S/C22H16Cl2N2O2/c1-12-3-6-20-19(7-12)26-22(28-20)14-5-4-13(2)18(9-14)25-11-15-8-16(23)10-17(24)21(15)27/h3-11,27H,1-2H3/b25-11+
InChIKeyQVNGHLNHIOPLFI-OPEKNORGSA-N
XLogP6.87
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.29
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,4-dichloro-6-[[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

2,4-dichloro-6-[[2-methoxy-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
CID 3095813
2,4-dichloro-6-[(2,5-dimethylphenyl)iminomethyl]phenol
CID 710319
2-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]iminomethyl]-4,6-diiodophenol
CID 2840728
4-chloro-2-methoxy-6-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
CID 1204829
2-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
CID 135713338
4-benzyl-2-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
CID 4021463
2,4-dichloro-6-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)iminomethyl]phenol
CID 135721927
1-(6-chloro-1,3-benzodioxol-5-yl)-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methanimine
CID 1128777
2-[[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-6-ethoxy-4-nitrophenol
CID 3098656
4-benzyl-2-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]iminomethyl]-6-nitrophenol
CID 4015317
2-bromo-4-chloro-6-[[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
CID 4993128
2-ethoxy-6-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
CID 1206273

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol (CID 3096849) is 2,4-dichloro-6-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol is Cc1ccc2oc(-c3ccc(C)c(/N=C/c4cc(Cl)cc(Cl)c4O)c3)nc2c1.
What is the InChIKey of 2,4-dichloro-6-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol?
The InChIKey is QVNGHLNHIOPLFI-OPEKNORGSA-N. The full InChI is InChI=1S/C22H16Cl2N2O2/c1-12-3-6-20-19(7-12)26-22(28-20)14-5-4-13(2)18(9-14)25-11-15-8-16(23)10-17(24)21(15)27/h3-11,27H,1-2H3/b25-11+.
What are the key properties of 2,4-dichloro-6-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol?
2,4-dichloro-6-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol has a molecular weight of 411.29 g/mol, XLogP of 6.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 3096849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).