1-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-N-ethoxy-2-imidazol-1-ylethanimine

C21H18ClN3O — CID 123807521

IUPAC1-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-N-ethoxy-2-imidazol-1-ylethanimine
SMILESCCON=C(Cn1ccnc1)c1ccc(C#Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H18ClN3O/c1-2-26-24-21(15-25-14-13-23-16-25)19-9-5-17(6-10-19)3-4-18-7-11-20(22)12-8-18/h5-14,16H,2,15H2,1H3
InChIKeyWSVHZQNAJOXRBR-UHFFFAOYSA-N
MW363.85 g/mol
LogP4.38
Rot. Bonds5

About 1-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-N-ethoxy-2-imidazol-1-ylethanimine

1-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-N-ethoxy-2-imidazol-1-ylethanimine (PubChem CID 123807521) has the molecular formula C21H18ClN3O and a molecular weight of 363.85 g/mol. Its IUPAC name is 1-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-N-ethoxy-2-imidazol-1-ylethanimine.

Molecular Properties

Compound Name1-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-N-ethoxy-2-imidazol-1-ylethanimine
PubChem CID123807521
Molecular FormulaC21H18ClN3O
Molecular Weight363.85 g/mol
Exact Mass363.11
IUPAC Name1-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-N-ethoxy-2-imidazol-1-ylethanimine
SMILESCCON=C(Cn1ccnc1)c1ccc(C#Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H18ClN3O/c1-2-26-24-21(15-25-14-13-23-16-25)19-9-5-17(6-10-19)3-4-18-7-11-20(22)12-8-18/h5-14,16H,2,15H2,1H3
InChIKeyWSVHZQNAJOXRBR-UHFFFAOYSA-N
XLogP4.38
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 54.38
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-N-ethoxy-2-imidazol-1-ylethanimine 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

(Z)-1-(4-chlorophenyl)-N-[(4-chlorophenyl)methoxy]-2-imidazol-1-ylethanimine
CID 88721100
N-[(2-fluorophenyl)methoxy]-2-imidazol-1-yl-1-[4-(2-phenylethynyl)phenyl]ethanimine
CID 123991001
1-[2-(4-chlorophenyl)prop-2-enyl]imidazole
CID 71322821
(E)-N-[[2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-2-imidazol-1-yl-1-phenylethanimine
CID 6482197
1-[4-(2-cyclopropylethynyl)phenyl]-N-ethoxy-2-fluoro-2-imidazol-1-ylethanimine
CID 123748842
ethyl 2-[2-[(2-imidazol-1-yl-1-phenylethylidene)amino]oxyethoxy]acetate
CID 148545907
ethyl 4-[2-[4-(imidazol-1-ylmethyl)-3-methylphenyl]ethynyl]benzoate
CID 22568837
1-(2,4-dichlorophenyl)-2-imidazol-1-yl-N-prop-1-enoxyethanimine
CID 141174032
acetic acid;(Z)-1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-imidazol-1-ylethanimine
CID 129184950
ethyl 3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-ynoate
CID 122647656
azonic acid;1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-imidazol-1-ylethanimine
CID 159230946
[(E)-1-(4-chlorophenyl)-3-imidazol-1-yl-2-(4-methylphenyl)prop-1-enyl] nitrate
CID 22800049

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-N-ethoxy-2-imidazol-1-ylethanimine?
The IUPAC name of 1-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-N-ethoxy-2-imidazol-1-ylethanimine (CID 123807521) is 1-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-N-ethoxy-2-imidazol-1-ylethanimine.
What is the SMILES notation for 1-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-N-ethoxy-2-imidazol-1-ylethanimine?
The canonical SMILES for 1-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-N-ethoxy-2-imidazol-1-ylethanimine is CCON=C(Cn1ccnc1)c1ccc(C#Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-N-ethoxy-2-imidazol-1-ylethanimine?
The InChIKey is WSVHZQNAJOXRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O/c1-2-26-24-21(15-25-14-13-23-16-25)19-9-5-17(6-10-19)3-4-18-7-11-20(22)12-8-18/h5-14,16H,2,15H2,1H3.
What are the key properties of 1-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-N-ethoxy-2-imidazol-1-ylethanimine?
1-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-N-ethoxy-2-imidazol-1-ylethanimine has a molecular weight of 363.85 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-N-ethoxy-2-imidazol-1-ylethanimine is sourced from PubChem (CID 123807521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).