5-(3,4-dichlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole

C17H12Cl2N4O — CID 151729900

IUPAC5-(3,4-dichlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole
SMILESClc1ccc(-c2nc(-c3ccc(C4=NCCN4)cc3)no2)cc1Cl
InChIInChI=1S/C17H12Cl2N4O/c18-13-6-5-12(9-14(13)19)17-22-16(23-24-17)11-3-1-10(2-4-11)15-20-7-8-21-15/h1-6,9H,7-8H2,(H,20,21)
InChIKeyRKINYAYBSCFMFE-UHFFFAOYSA-N
MW359.22 g/mol
LogP4.06
Rot. Bonds3

About 5-(3,4-dichlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole

5-(3,4-dichlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 151729900) has the molecular formula C17H12Cl2N4O and a molecular weight of 359.22 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole
PubChem CID151729900
Molecular FormulaC17H12Cl2N4O
Molecular Weight359.22 g/mol
Exact Mass358.04
IUPAC Name5-(3,4-dichlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole
SMILESClc1ccc(-c2nc(-c3ccc(C4=NCCN4)cc3)no2)cc1Cl
InChIInChI=1S/C17H12Cl2N4O/c18-13-6-5-12(9-14(13)19)17-22-16(23-24-17)11-3-1-10(2-4-11)15-20-7-8-21-15/h1-6,9H,7-8H2,(H,20,21)
InChIKeyRKINYAYBSCFMFE-UHFFFAOYSA-N
XLogP4.06
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3,4-dichlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 151566527
3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-iodophenyl)-1,2,4-oxadiazole
CID 171851796
3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-ethynylphenyl)-1,2,4-oxadiazole
CID 171851811
5-(3,4-dichlorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 704271
5-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 931247
4-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 81494253
2-chloro-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888720
5-(2,3-dihydro-1H-indol-5-yl)-3-phenyl-1,2,4-oxadiazole
CID 43325507
4-[5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 63195043
5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole;dihydrochloride
CID 16659036
5-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 705865
[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 2726656

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3,4-dichlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole (CID 151729900) is 5-(3,4-dichlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,4-dichlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole is Clc1ccc(-c2nc(-c3ccc(C4=NCCN4)cc3)no2)cc1Cl.
What is the InChIKey of 5-(3,4-dichlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is RKINYAYBSCFMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N4O/c18-13-6-5-12(9-14(13)19)17-22-16(23-24-17)11-3-1-10(2-4-11)15-20-7-8-21-15/h1-6,9H,7-8H2,(H,20,21).
What are the key properties of 5-(3,4-dichlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole?
5-(3,4-dichlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 359.22 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 151729900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).