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

C26H19Cl3N4O — CID 24994022

IUPAC2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-(1-phenylethyl)-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(C(C)c3ccccc3)o2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C26H19Cl3N4O/c1-15(17-6-4-3-5-7-17)25-31-32-26(34-25)23-16(2)33(20-11-8-18(27)9-12-20)24(30-23)21-13-10-19(28)14-22(21)29/h3-15H,1-2H3
InChIKeyLOBFAITZAICISW-UHFFFAOYSA-N
MW509.82 g/mol
LogP8.01
Rot. Bonds5

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

2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-(1-phenylethyl)-1,3,4-oxadiazole (PubChem CID 24994022) has the molecular formula C26H19Cl3N4O and a molecular weight of 509.82 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-(1-phenylethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-(1-phenylethyl)-1,3,4-oxadiazole
PubChem CID24994022
Molecular FormulaC26H19Cl3N4O
Molecular Weight509.82 g/mol
Exact Mass508.06
IUPAC Name2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-(1-phenylethyl)-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(C(C)c3ccccc3)o2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C26H19Cl3N4O/c1-15(17-6-4-3-5-7-17)25-31-32-26(34-25)23-16(2)33(20-11-8-18(27)9-12-20)24(30-23)21-13-10-19(28)14-22(21)29/h3-15H,1-2H3
InChIKeyLOBFAITZAICISW-UHFFFAOYSA-N
XLogP8.01
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.82
LogP ≤ 58.01
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-(1-phenylethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-(1-phenylethyl)-1,3,4-oxadiazole (CID 24994022) is 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-(1-phenylethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-(1-phenylethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-(1-phenylethyl)-1,3,4-oxadiazole is Cc1c(-c2nnc(C(C)c3ccccc3)o2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-(1-phenylethyl)-1,3,4-oxadiazole?
The InChIKey is LOBFAITZAICISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl3N4O/c1-15(17-6-4-3-5-7-17)25-31-32-26(34-25)23-16(2)33(20-11-8-18(27)9-12-20)24(30-23)21-13-10-19(28)14-22(21)29/h3-15H,1-2H3.
What are the key properties of 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-(1-phenylethyl)-1,3,4-oxadiazole?
2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-(1-phenylethyl)-1,3,4-oxadiazole has a molecular weight of 509.82 g/mol, XLogP of 8.01, 5 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-(1-phenylethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 24994022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).