(E)-N-[(2-chlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine

C23H17ClFN3O — CID 71492821

IUPAC(E)-N-[(2-chlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine
SMILESFc1ccc(C2=NC(c3ccccc3)N=C2/C=N/OCc2ccccc2Cl)cc1
InChIInChI=1S/C23H17ClFN3O/c24-20-9-5-4-8-18(20)15-29-26-14-21-22(16-10-12-19(25)13-11-16)28-23(27-21)17-6-2-1-3-7-17/h1-14,23H,15H2/b26-14+
InChIKeyLFGCAQDMMOHCHR-VULFUBBASA-N
MW405.86 g/mol
LogP5.62
Rot. Bonds6

About (E)-N-[(2-chlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine

(E)-N-[(2-chlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine (PubChem CID 71492821) has the molecular formula C23H17ClFN3O and a molecular weight of 405.86 g/mol. Its IUPAC name is (E)-N-[(2-chlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine.

Molecular Properties

Compound Name(E)-N-[(2-chlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine
PubChem CID71492821
Molecular FormulaC23H17ClFN3O
Molecular Weight405.86 g/mol
Exact Mass405.10
IUPAC Name(E)-N-[(2-chlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine
SMILESFc1ccc(C2=NC(c3ccccc3)N=C2/C=N/OCc2ccccc2Cl)cc1
InChIInChI=1S/C23H17ClFN3O/c24-20-9-5-4-8-18(20)15-29-26-14-21-22(16-10-12-19(25)13-11-16)28-23(27-21)17-6-2-1-3-7-17/h1-14,23H,15H2/b26-14+
InChIKeyLFGCAQDMMOHCHR-VULFUBBASA-N
XLogP5.62
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.86
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-[(2-chlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine 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

1-(2-chlorophenyl)-N-[2-[5-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]methanimine
CID 15695436
2-[[3-(2-Chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-fluorophenyl)methyl]amino]-1-phenylethanol
CID 42838612
(Z)-1-benzyl-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine
CID 51357636
(E)-1-(2,5-diphenyl-2H-imidazol-4-yl)-N-[(2-fluorophenyl)methoxy]methanimine
CID 71492479
(E)-N-[(2-fluorophenyl)methoxy]-1-[5-(4-methylphenyl)-2-phenyl-2H-imidazol-4-yl]methanimine
CID 71492636
(E)-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine
CID 71492641
(E)-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]-N-[(2-methylphenyl)methoxy]methanimine
CID 71492820
(E)-N-[(2,4-dichlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine
CID 71492822
2-(2-Chlorophenyl)-4,5-diphenylimidazol-2-ol
CID 151277453
(E)-1-(2,5-diphenyl-2H-imidazol-4-yl)-N-phenylmethoxymethanimine
CID 71492478
(E)-N-[(2,4-dichlorophenyl)methoxy]-1-(2,5-diphenyl-2H-imidazol-4-yl)methanimine
CID 71492480
(E)-1-[5-(4-methylphenyl)-2-phenyl-2H-imidazol-4-yl]-N-phenylmethoxymethanimine
CID 71492481

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2-chlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine?
The IUPAC name of (E)-N-[(2-chlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine (CID 71492821) is (E)-N-[(2-chlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine.
What is the SMILES notation for (E)-N-[(2-chlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine?
The canonical SMILES for (E)-N-[(2-chlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine is Fc1ccc(C2=NC(c3ccccc3)N=C2/C=N/OCc2ccccc2Cl)cc1.
What is the InChIKey of (E)-N-[(2-chlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine?
The InChIKey is LFGCAQDMMOHCHR-VULFUBBASA-N. The full InChI is InChI=1S/C23H17ClFN3O/c24-20-9-5-4-8-18(20)15-29-26-14-21-22(16-10-12-19(25)13-11-16)28-23(27-21)17-6-2-1-3-7-17/h1-14,23H,15H2/b26-14+.
What are the key properties of (E)-N-[(2-chlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine?
(E)-N-[(2-chlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine has a molecular weight of 405.86 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-chlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine is sourced from PubChem (CID 71492821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).