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

C23H18ClN3O — CID 71493005

IUPAC(E)-N-[(2-chlorophenyl)methoxy]-1-(2,5-diphenyl-2H-imidazol-4-yl)methanimine
SMILESClc1ccccc1CO/N=C/C1=NC(c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C23H18ClN3O/c24-20-14-8-7-13-19(20)16-28-25-15-21-22(17-9-3-1-4-10-17)27-23(26-21)18-11-5-2-6-12-18/h1-15,23H,16H2/b25-15+
InChIKeyDAQRBUNXPYFWFY-MFKUBSTISA-N
MW387.87 g/mol
LogP5.49
Rot. Bonds6

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

(E)-N-[(2-chlorophenyl)methoxy]-1-(2,5-diphenyl-2H-imidazol-4-yl)methanimine (PubChem CID 71493005) has the molecular formula C23H18ClN3O and a molecular weight of 387.87 g/mol. Its IUPAC name is (E)-N-[(2-chlorophenyl)methoxy]-1-(2,5-diphenyl-2H-imidazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-N-[(2-chlorophenyl)methoxy]-1-(2,5-diphenyl-2H-imidazol-4-yl)methanimine
PubChem CID71493005
Molecular FormulaC23H18ClN3O
Molecular Weight387.87 g/mol
Exact Mass387.11
IUPAC Name(E)-N-[(2-chlorophenyl)methoxy]-1-(2,5-diphenyl-2H-imidazol-4-yl)methanimine
SMILESClc1ccccc1CO/N=C/C1=NC(c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C23H18ClN3O/c24-20-14-8-7-13-19(20)16-28-25-15-21-22(17-9-3-1-4-10-17)27-23(26-21)18-11-5-2-6-12-18/h1-15,23H,16H2/b25-15+
InChIKeyDAQRBUNXPYFWFY-MFKUBSTISA-N
XLogP5.49
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.87
LogP ≤ 55.49
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'}

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Related Compounds

N-[(2-chlorophenyl)methoxy]-1,3,5-trimethyl-2,6-diphenylpiperidin-4-imine
CID 11517654
1-(2-chlorophenyl)-N-[2-[5-(2-chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]methanimine
CID 15695436
N-[(2-chlorophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine
CID 73065438
(4E)-N-[(2-Chlorophenyl)methoxy]-1,3-dimethyl-2,6-diphenylpiperidin-4-imine
CID 139083995
(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-chlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine
CID 71492821
(E)-N-[(2,4-dichlorophenyl)methoxy]-1-[5-(4-fluorophenyl)-2-phenyl-2H-imidazol-4-yl]methanimine
CID 71492822
3,5-Bis(2-chlorophenyl)-4,5-dihydro-1,2,4-oxadiazole
CID 20481254
[2-chloro-5-[C-methyl-N-[(3-methylphenyl)methoxy]carbonimidoyl]phenyl]methanamine
CID 141127542

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2-chlorophenyl)methoxy]-1-(2,5-diphenyl-2H-imidazol-4-yl)methanimine?
The IUPAC name of (E)-N-[(2-chlorophenyl)methoxy]-1-(2,5-diphenyl-2H-imidazol-4-yl)methanimine (CID 71493005) is (E)-N-[(2-chlorophenyl)methoxy]-1-(2,5-diphenyl-2H-imidazol-4-yl)methanimine.
What is the SMILES notation for (E)-N-[(2-chlorophenyl)methoxy]-1-(2,5-diphenyl-2H-imidazol-4-yl)methanimine?
The canonical SMILES for (E)-N-[(2-chlorophenyl)methoxy]-1-(2,5-diphenyl-2H-imidazol-4-yl)methanimine is Clc1ccccc1CO/N=C/C1=NC(c2ccccc2)N=C1c1ccccc1.
What is the InChIKey of (E)-N-[(2-chlorophenyl)methoxy]-1-(2,5-diphenyl-2H-imidazol-4-yl)methanimine?
The InChIKey is DAQRBUNXPYFWFY-MFKUBSTISA-N. The full InChI is InChI=1S/C23H18ClN3O/c24-20-14-8-7-13-19(20)16-28-25-15-21-22(17-9-3-1-4-10-17)27-23(26-21)18-11-5-2-6-12-18/h1-15,23H,16H2/b25-15+.
What are the key properties of (E)-N-[(2-chlorophenyl)methoxy]-1-(2,5-diphenyl-2H-imidazol-4-yl)methanimine?
(E)-N-[(2-chlorophenyl)methoxy]-1-(2,5-diphenyl-2H-imidazol-4-yl)methanimine has a molecular weight of 387.87 g/mol, XLogP of 5.49, 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-(2,5-diphenyl-2H-imidazol-4-yl)methanimine is sourced from PubChem (CID 71493005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).