2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-pentan-3-yl-1,3,4-oxadiazole

C23H21Cl3N4O — CID 24994021

IUPAC2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-pentan-3-yl-1,3,4-oxadiazole
SMILESCCC(CC)c1nnc(-c2nc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c2C)o1
InChIInChI=1S/C23H21Cl3N4O/c1-4-14(5-2)22-28-29-23(31-22)20-13(3)30(17-9-6-15(24)7-10-17)21(27-20)18-11-8-16(25)12-19(18)26/h6-12,14H,4-5H2,1-3H3
InChIKeyJUSNGEZMJUSUPU-UHFFFAOYSA-N
MW475.81 g/mol
LogP7.76
Rot. Bonds6

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

2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-pentan-3-yl-1,3,4-oxadiazole (PubChem CID 24994021) has the molecular formula C23H21Cl3N4O and a molecular weight of 475.81 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-pentan-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-pentan-3-yl-1,3,4-oxadiazole
PubChem CID24994021
Molecular FormulaC23H21Cl3N4O
Molecular Weight475.81 g/mol
Exact Mass474.08
IUPAC Name2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-pentan-3-yl-1,3,4-oxadiazole
SMILESCCC(CC)c1nnc(-c2nc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c2C)o1
InChIInChI=1S/C23H21Cl3N4O/c1-4-14(5-2)22-28-29-23(31-22)20-13(3)30(17-9-6-15(24)7-10-17)21(27-20)18-11-8-16(25)12-19(18)26/h6-12,14H,4-5H2,1-3H3
InChIKeyJUSNGEZMJUSUPU-UHFFFAOYSA-N
XLogP7.76
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.81
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-pentan-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-pentan-3-yl-1,3,4-oxadiazole (CID 24994021) is 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-pentan-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-pentan-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-pentan-3-yl-1,3,4-oxadiazole is CCC(CC)c1nnc(-c2nc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c2C)o1.
What is the InChIKey of 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-pentan-3-yl-1,3,4-oxadiazole?
The InChIKey is JUSNGEZMJUSUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl3N4O/c1-4-14(5-2)22-28-29-23(31-22)20-13(3)30(17-9-6-15(24)7-10-17)21(27-20)18-11-8-16(25)12-19(18)26/h6-12,14H,4-5H2,1-3H3.
What are the key properties of 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-pentan-3-yl-1,3,4-oxadiazole?
2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-pentan-3-yl-1,3,4-oxadiazole has a molecular weight of 475.81 g/mol, XLogP of 7.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-pentan-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 24994021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).