2-(2,4-dichlorophenyl)-5-[[2-(4-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-1,3,4-oxadiazole

C19H15Cl2N5O — CID 122182372

IUPAC2-(2,4-dichlorophenyl)-5-[[2-(4-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-1,3,4-oxadiazole
SMILESCCc1ccnc(-c2nccn2Cc2nnc(-c3ccc(Cl)cc3Cl)o2)c1
InChIInChI=1S/C19H15Cl2N5O/c1-2-12-5-6-22-16(9-12)18-23-7-8-26(18)11-17-24-25-19(27-17)14-4-3-13(20)10-15(14)21/h3-10H,2,11H2,1H3
InChIKeyCTNWXLFLXHEAOM-UHFFFAOYSA-N
MW400.27 g/mol
LogP4.91
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-5-[[2-(4-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-1,3,4-oxadiazole

2-(2,4-dichlorophenyl)-5-[[2-(4-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 122182372) has the molecular formula C19H15Cl2N5O and a molecular weight of 400.27 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5-[[2-(4-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-5-[[2-(4-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID122182372
Molecular FormulaC19H15Cl2N5O
Molecular Weight400.27 g/mol
Exact Mass399.07
IUPAC Name2-(2,4-dichlorophenyl)-5-[[2-(4-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-1,3,4-oxadiazole
SMILESCCc1ccnc(-c2nccn2Cc2nnc(-c3ccc(Cl)cc3Cl)o2)c1
InChIInChI=1S/C19H15Cl2N5O/c1-2-12-5-6-22-16(9-12)18-23-7-8-26(18)11-17-24-25-19(27-17)14-4-3-13(20)10-15(14)21/h3-10H,2,11H2,1H3
InChIKeyCTNWXLFLXHEAOM-UHFFFAOYSA-N
XLogP4.91
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.27
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-5-[[2-(4-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2,4-dichlorophenyl)-5-[[2-(4-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-1,3,4-oxadiazole (CID 122182372) is 2-(2,4-dichlorophenyl)-5-[[2-(4-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-5-[[2-(4-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,4-dichlorophenyl)-5-[[2-(4-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-1,3,4-oxadiazole is CCc1ccnc(-c2nccn2Cc2nnc(-c3ccc(Cl)cc3Cl)o2)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-5-[[2-(4-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is CTNWXLFLXHEAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N5O/c1-2-12-5-6-22-16(9-12)18-23-7-8-26(18)11-17-24-25-19(27-17)14-4-3-13(20)10-15(14)21/h3-10H,2,11H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-5-[[2-(4-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-1,3,4-oxadiazole?
2-(2,4-dichlorophenyl)-5-[[2-(4-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 400.27 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-5-[[2-(4-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 122182372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).