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

C23H19Cl3N4O — CID 24993059

IUPAC2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-cyclopentyl-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(C3CCCC3)o2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H19Cl3N4O/c1-13-20(23-29-28-22(31-23)14-4-2-3-5-14)27-21(18-11-8-16(25)12-19(18)26)30(13)17-9-6-15(24)7-10-17/h6-12,14H,2-5H2,1H3
InChIKeyZAUJKDGAYZSTPC-UHFFFAOYSA-N
MW473.79 g/mol
LogP7.52
Rot. Bonds4

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

2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-cyclopentyl-1,3,4-oxadiazole (PubChem CID 24993059) has the molecular formula C23H19Cl3N4O and a molecular weight of 473.79 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-cyclopentyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-cyclopentyl-1,3,4-oxadiazole
PubChem CID24993059
Molecular FormulaC23H19Cl3N4O
Molecular Weight473.79 g/mol
Exact Mass472.06
IUPAC Name2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-cyclopentyl-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(C3CCCC3)o2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H19Cl3N4O/c1-13-20(23-29-28-22(31-23)14-4-2-3-5-14)27-21(18-11-8-16(25)12-19(18)26)30(13)17-9-6-15(24)7-10-17/h6-12,14H,2-5H2,1H3
InChIKeyZAUJKDGAYZSTPC-UHFFFAOYSA-N
XLogP7.52
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.79
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 11293531
CID 11293531
CID 24992089
CID 24992089
CID 24992090
CID 24992090
CID 24993058
CID 24993058
CID 24993060
CID 24993060
CID 24993061
CID 24993061
CID 24993705
CID 24993705
CID 24993706
CID 24993706
CID 24994020
CID 24994020
CID 24994021
CID 24994021
CID 24994022
CID 24994022
CID 24994322
CID 24994322

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-cyclopentyl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-cyclopentyl-1,3,4-oxadiazole (CID 24993059) is 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-cyclopentyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-cyclopentyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-cyclopentyl-1,3,4-oxadiazole is Cc1c(-c2nnc(C3CCCC3)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-cyclopentyl-1,3,4-oxadiazole?
The InChIKey is ZAUJKDGAYZSTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl3N4O/c1-13-20(23-29-28-22(31-23)14-4-2-3-5-14)27-21(18-11-8-16(25)12-19(18)26)30(13)17-9-6-15(24)7-10-17/h6-12,14H,2-5H2,1H3.
What are the key properties of 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-cyclopentyl-1,3,4-oxadiazole?
2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-cyclopentyl-1,3,4-oxadiazole has a molecular weight of 473.79 g/mol, XLogP of 7.52, 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-cyclopentyl-1,3,4-oxadiazole is sourced from PubChem (CID 24993059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).