5-[5-(4-chlorophenyl)-3-nonylimidazol-4-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole

C27H29Cl3N4O — CID 155264294

IUPAC5-[5-(4-chlorophenyl)-3-nonylimidazol-4-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole
SMILESCCCCCCCCCn1cnc(-c2ccc(Cl)cc2)c1-c1nc(Cc2ccc(Cl)c(Cl)c2)no1
InChIInChI=1S/C27H29Cl3N4O/c1-2-3-4-5-6-7-8-15-34-18-31-25(20-10-12-21(28)13-11-20)26(34)27-32-24(33-35-27)17-19-9-14-22(29)23(30)16-19/h9-14,16,18H,2-8,15,17H2,1H3
InChIKeyGUCDJVKNEHJNFA-UHFFFAOYSA-N
MW531.92 g/mol
LogP8.90
Rot. Bonds12

About 5-[5-(4-chlorophenyl)-3-nonylimidazol-4-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole

5-[5-(4-chlorophenyl)-3-nonylimidazol-4-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole (PubChem CID 155264294) has the molecular formula C27H29Cl3N4O and a molecular weight of 531.92 g/mol. Its IUPAC name is 5-[5-(4-chlorophenyl)-3-nonylimidazol-4-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[5-(4-chlorophenyl)-3-nonylimidazol-4-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole
PubChem CID155264294
Molecular FormulaC27H29Cl3N4O
Molecular Weight531.92 g/mol
Exact Mass530.14
IUPAC Name5-[5-(4-chlorophenyl)-3-nonylimidazol-4-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole
SMILESCCCCCCCCCn1cnc(-c2ccc(Cl)cc2)c1-c1nc(Cc2ccc(Cl)c(Cl)c2)no1
InChIInChI=1S/C27H29Cl3N4O/c1-2-3-4-5-6-7-8-15-34-18-31-25(20-10-12-21(28)13-11-20)26(34)27-32-24(33-35-27)17-19-9-14-22(29)23(30)16-19/h9-14,16,18H,2-8,15,17H2,1H3
InChIKeyGUCDJVKNEHJNFA-UHFFFAOYSA-N
XLogP8.90
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.92
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[5-(4-chlorophenyl)-3-nonylimidazol-4-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-chlorophenyl)-3-nonylimidazol-4-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[5-(4-chlorophenyl)-3-nonylimidazol-4-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole (CID 155264294) is 5-[5-(4-chlorophenyl)-3-nonylimidazol-4-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[5-(4-chlorophenyl)-3-nonylimidazol-4-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[5-(4-chlorophenyl)-3-nonylimidazol-4-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole is CCCCCCCCCn1cnc(-c2ccc(Cl)cc2)c1-c1nc(Cc2ccc(Cl)c(Cl)c2)no1.
What is the InChIKey of 5-[5-(4-chlorophenyl)-3-nonylimidazol-4-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is GUCDJVKNEHJNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29Cl3N4O/c1-2-3-4-5-6-7-8-15-34-18-31-25(20-10-12-21(28)13-11-20)26(34)27-32-24(33-35-27)17-19-9-14-22(29)23(30)16-19/h9-14,16,18H,2-8,15,17H2,1H3.
What are the key properties of 5-[5-(4-chlorophenyl)-3-nonylimidazol-4-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole?
5-[5-(4-chlorophenyl)-3-nonylimidazol-4-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 531.92 g/mol, XLogP of 8.90, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-chlorophenyl)-3-nonylimidazol-4-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 155264294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).