3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazo[4,5-d]pyridazine

C17H9Cl3N4 — CID 141103308

IUPAC3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazo[4,5-d]pyridazine
SMILESClc1ccc(-n2c(-c3ccc(Cl)cc3Cl)nc3cnncc32)cc1
InChIInChI=1S/C17H9Cl3N4/c18-10-1-4-12(5-2-10)24-16-9-22-21-8-15(16)23-17(24)13-6-3-11(19)7-14(13)20/h1-9H
InChIKeyXIBIUXHXTPXWSA-UHFFFAOYSA-N
MW375.65 g/mol
LogP5.44
Rot. Bonds2

About 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazo[4,5-d]pyridazine

3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazo[4,5-d]pyridazine (PubChem CID 141103308) has the molecular formula C17H9Cl3N4 and a molecular weight of 375.65 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazo[4,5-d]pyridazine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazo[4,5-d]pyridazine
PubChem CID141103308
Molecular FormulaC17H9Cl3N4
Molecular Weight375.65 g/mol
Exact Mass373.99
IUPAC Name3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazo[4,5-d]pyridazine
SMILESClc1ccc(-n2c(-c3ccc(Cl)cc3Cl)nc3cnncc32)cc1
InChIInChI=1S/C17H9Cl3N4/c18-10-1-4-12(5-2-10)24-16-9-22-21-8-15(16)23-17(24)13-6-3-11(19)7-14(13)20/h1-9H
InChIKeyXIBIUXHXTPXWSA-UHFFFAOYSA-N
XLogP5.44
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.65
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(bromomethyl)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole
CID 141108787
2,6-ditert-butyl-4-[2-(2,4-dichlorophenyl)-5-methoxybenzimidazol-1-yl]phenol
CID 4167233
2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-(2-methylpropyl)-1,3,4-thiadiazole
CID 44570185
N-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]benzamide
CID 11583370
1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole
CID 69094460
2-tert-butyl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazole
CID 69190558
1-[(3-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)benzimidazole
CID 134083955
2-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1-(4-hydroxyphenyl)imidazole-4-carboxamide
CID 143249945
2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-pentan-3-yl-1,3,4-oxadiazole
CID 24994021
2-(2,4-dichlorophenyl)-1-propylbenzimidazole
CID 16987669
ethyl 2-(2,4-dichlorophenyl)-1-(4-hydroxyphenyl)-5-methylimidazole-4-carboxylate
CID 59863038
2-[9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)purin-6-yl]-N-ethylpropan-2-amine
CID 69403255

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazo[4,5-d]pyridazine?
The IUPAC name of 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazo[4,5-d]pyridazine (CID 141103308) is 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazo[4,5-d]pyridazine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazo[4,5-d]pyridazine?
The canonical SMILES for 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazo[4,5-d]pyridazine is Clc1ccc(-n2c(-c3ccc(Cl)cc3Cl)nc3cnncc32)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazo[4,5-d]pyridazine?
The InChIKey is XIBIUXHXTPXWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl3N4/c18-10-1-4-12(5-2-10)24-16-9-22-21-8-15(16)23-17(24)13-6-3-11(19)7-14(13)20/h1-9H.
What are the key properties of 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazo[4,5-d]pyridazine?
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazo[4,5-d]pyridazine has a molecular weight of 375.65 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazo[4,5-d]pyridazine is sourced from PubChem (CID 141103308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).