1-(3,4-dichlorophenyl)-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanimine

C20H10Cl4N2O — CID 3978136

IUPAC1-(3,4-dichlorophenyl)-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanimine
SMILESClc1ccc(-c2nc3cc(/N=C/c4ccc(Cl)c(Cl)c4)ccc3o2)c(Cl)c1
InChIInChI=1S/C20H10Cl4N2O/c21-12-2-4-14(16(23)8-12)20-26-18-9-13(3-6-19(18)27-20)25-10-11-1-5-15(22)17(24)7-11/h1-10H/b25-10+
InChIKeyFPXSCLMXNUFIHV-KIBLKLHPSA-N
MW436.13 g/mol
LogP7.86
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanimine

1-(3,4-dichlorophenyl)-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanimine (PubChem CID 3978136) has the molecular formula C20H10Cl4N2O and a molecular weight of 436.13 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanimine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanimine
PubChem CID3978136
Molecular FormulaC20H10Cl4N2O
Molecular Weight436.13 g/mol
Exact Mass433.95
IUPAC Name1-(3,4-dichlorophenyl)-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanimine
SMILESClc1ccc(-c2nc3cc(/N=C/c4ccc(Cl)c(Cl)c4)ccc3o2)c(Cl)c1
InChIInChI=1S/C20H10Cl4N2O/c21-12-2-4-14(16(23)8-12)20-26-18-9-13(3-6-19(18)27-20)25-10-11-1-5-15(22)17(24)7-11/h1-10H/b25-10+
InChIKeyFPXSCLMXNUFIHV-KIBLKLHPSA-N
XLogP7.86
TPSA38.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.13
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-3-nitrophenyl)-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanimine
CID 3998271
1-anthracen-9-yl-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanimine
CID 171978521
[4-[[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenyl] 4-bromobenzoate
CID 3427857
1-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanimine
CID 4193648
4-[(3,4-dichlorophenyl)methylideneamino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenol
CID 4002391
4-chloro-2-[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol
CID 3346882
1-(3-bromo-4-methoxyphenyl)-N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]methanimine
CID 3451539
4-chloro-2-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol
CID 135810678
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-1-(3-chloro-4-methoxyphenyl)methanimine
CID 3492666
4-bromo-2-chloro-6-[[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol
CID 3375857
1-anthracen-9-yl-N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]methanimine
CID 4626074
5-chloro-2-(2,5-dichlorophenyl)-1,3-benzoxazole
CID 95911053

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanimine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanimine (CID 3978136) is 1-(3,4-dichlorophenyl)-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanimine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanimine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanimine is Clc1ccc(-c2nc3cc(/N=C/c4ccc(Cl)c(Cl)c4)ccc3o2)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanimine?
The InChIKey is FPXSCLMXNUFIHV-KIBLKLHPSA-N. The full InChI is InChI=1S/C20H10Cl4N2O/c21-12-2-4-14(16(23)8-12)20-26-18-9-13(3-6-19(18)27-20)25-10-11-1-5-15(22)17(24)7-11/h1-10H/b25-10+.
What are the key properties of 1-(3,4-dichlorophenyl)-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanimine?
1-(3,4-dichlorophenyl)-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanimine has a molecular weight of 436.13 g/mol, XLogP of 7.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanimine is sourced from PubChem (CID 3978136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).