2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole

C29H23BrCl2N4O — CID 24994958

IUPAC2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole
SMILESCCCc1c(-c2nnc(C3(c4ccccc4)CC3)o2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1
InChIInChI=1S/C29H23BrCl2N4O/c1-2-6-24-25(27-34-35-28(37-27)29(15-16-29)18-7-4-3-5-8-18)33-26(22-14-11-20(31)17-23(22)32)36(24)21-12-9-19(30)10-13-21/h3-5,7-14,17H,2,6,15-16H2,1H3
InChIKeyKSMAHIMALMEMGT-UHFFFAOYSA-N
MW594.34 g/mol
LogP8.69
Rot. Bonds7

About 2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole

2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole (PubChem CID 24994958) has the molecular formula C29H23BrCl2N4O and a molecular weight of 594.34 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole
PubChem CID24994958
Molecular FormulaC29H23BrCl2N4O
Molecular Weight594.34 g/mol
Exact Mass592.04
IUPAC Name2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole
SMILESCCCc1c(-c2nnc(C3(c4ccccc4)CC3)o2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1
InChIInChI=1S/C29H23BrCl2N4O/c1-2-6-24-25(27-34-35-28(37-27)29(15-16-29)18-7-4-3-5-8-18)33-26(22-14-11-20(31)17-23(22)32)36(24)21-12-9-19(30)10-13-21/h3-5,7-14,17H,2,6,15-16H2,1H3
InChIKeyKSMAHIMALMEMGT-UHFFFAOYSA-N
XLogP8.69
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.34
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole (CID 24994958) is 2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole is CCCc1c(-c2nnc(C3(c4ccccc4)CC3)o2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1.
What is the InChIKey of 2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole?
The InChIKey is KSMAHIMALMEMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23BrCl2N4O/c1-2-6-24-25(27-34-35-28(37-27)29(15-16-29)18-7-4-3-5-8-18)33-26(22-14-11-20(31)17-23(22)32)36(24)21-12-9-19(30)10-13-21/h3-5,7-14,17H,2,6,15-16H2,1H3.
What are the key properties of 2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole?
2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole has a molecular weight of 594.34 g/mol, XLogP of 8.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole is sourced from PubChem (CID 24994958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).