1-(2,4-dichlorophenyl)-2-imidazol-1-yl-N-prop-1-enoxyethanimine

C14H13Cl2N3O — CID 141174032

IUPAC1-(2,4-dichlorophenyl)-2-imidazol-1-yl-N-prop-1-enoxyethanimine
SMILESCC=CON=C(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2N3O/c1-2-7-20-18-14(9-19-6-5-17-10-19)12-4-3-11(15)8-13(12)16/h2-8,10H,9H2,1H3
InChIKeyULARJJCDJHCYQX-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.14
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-2-imidazol-1-yl-N-prop-1-enoxyethanimine

1-(2,4-dichlorophenyl)-2-imidazol-1-yl-N-prop-1-enoxyethanimine (PubChem CID 141174032) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-imidazol-1-yl-N-prop-1-enoxyethanimine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-imidazol-1-yl-N-prop-1-enoxyethanimine
PubChem CID141174032
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC Name1-(2,4-dichlorophenyl)-2-imidazol-1-yl-N-prop-1-enoxyethanimine
SMILESCC=CON=C(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2N3O/c1-2-7-20-18-14(9-19-6-5-17-10-19)12-4-3-11(15)8-13(12)16/h2-8,10H,9H2,1H3
InChIKeyULARJJCDJHCYQX-UHFFFAOYSA-N
XLogP4.14
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;(Z)-1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-imidazol-1-ylethanimine
CID 129184950
(Z)-1-(2,4-dichlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-imidazol-1-ylethanimine
CID 139633662
azonic acid;1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-imidazol-1-ylethanimine
CID 159230946
1-[(E)-2,3-bis(2,4-dichlorophenyl)prop-2-enyl]imidazole;ethane-1,2-diol
CID 70500879
1-[2-(2,4-dichlorophenyl)-2-prop-1-enoxyethyl]imidazole
CID 54337740
(Z)-1-(4-chlorophenyl)-N-[(4-chlorophenyl)methoxy]-2-imidazol-1-ylethanimine
CID 88721100
1-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-N-ethoxy-2-imidazol-1-ylethanimine
CID 123807521
1-[4-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone
CID 57320594
1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-(1,2,4-triazol-1-yl)ethanimine
CID 54420429
[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] 2,4-dichlorobenzoate;hydrochloride
CID 155545468
(2,4-dichlorophenyl)-(imidazol-1-ylmethyl)-dimethylsilane
CID 13392416
bis(2,4-dichlorophenyl)-(imidazol-1-ylmethyl)-methylsilane
CID 13392449

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-imidazol-1-yl-N-prop-1-enoxyethanimine?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-imidazol-1-yl-N-prop-1-enoxyethanimine (CID 141174032) is 1-(2,4-dichlorophenyl)-2-imidazol-1-yl-N-prop-1-enoxyethanimine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-imidazol-1-yl-N-prop-1-enoxyethanimine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-imidazol-1-yl-N-prop-1-enoxyethanimine is CC=CON=C(Cn1ccnc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-imidazol-1-yl-N-prop-1-enoxyethanimine?
The InChIKey is ULARJJCDJHCYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c1-2-7-20-18-14(9-19-6-5-17-10-19)12-4-3-11(15)8-13(12)16/h2-8,10H,9H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-imidazol-1-yl-N-prop-1-enoxyethanimine?
1-(2,4-dichlorophenyl)-2-imidazol-1-yl-N-prop-1-enoxyethanimine has a molecular weight of 310.18 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-imidazol-1-yl-N-prop-1-enoxyethanimine is sourced from PubChem (CID 141174032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).