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

C21H17Cl3N4O — CID 24994020

IUPAC2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(C(C)C)o2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C21H17Cl3N4O/c1-11(2)20-26-27-21(29-20)18-12(3)28(15-7-4-13(22)5-8-15)19(25-18)16-9-6-14(23)10-17(16)24/h4-11H,1-3H3
InChIKeyIOLMBXNGZBALHK-UHFFFAOYSA-N
MW447.75 g/mol
LogP6.98
Rot. Bonds4

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

2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 24994020) has the molecular formula C21H17Cl3N4O and a molecular weight of 447.75 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID24994020
Molecular FormulaC21H17Cl3N4O
Molecular Weight447.75 g/mol
Exact Mass446.05
IUPAC Name2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(C(C)C)o2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C21H17Cl3N4O/c1-11(2)20-26-27-21(29-20)18-12(3)28(15-7-4-13(22)5-8-15)19(25-18)16-9-6-14(23)10-17(16)24/h4-11H,1-3H3
InChIKeyIOLMBXNGZBALHK-UHFFFAOYSA-N
XLogP6.98
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.75
LogP ≤ 56.98
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-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole (CID 24994020) is 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole is Cc1c(-c2nnc(C(C)C)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-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is IOLMBXNGZBALHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl3N4O/c1-11(2)20-26-27-21(29-20)18-12(3)28(15-7-4-13(22)5-8-15)19(25-18)16-9-6-14(23)10-17(16)24/h4-11H,1-3H3.
What are the key properties of 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole?
2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 447.75 g/mol, XLogP of 6.98, 4 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-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 24994020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).