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

C18H15IN4O — CID 171851809

IUPAC5-(2-iodophenyl)-3-[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole
SMILESCC1CN=C(c2ccc(-c3noc(-c4ccccc4I)n3)cc2)N1
InChIInChI=1S/C18H15IN4O/c1-11-10-20-16(21-11)12-6-8-13(9-7-12)17-22-18(24-23-17)14-4-2-3-5-15(14)19/h2-9,11H,10H2,1H3,(H,20,21)
InChIKeyBVXUHZFGMXODKF-UHFFFAOYSA-N
MW430.25 g/mol
LogP3.75
Rot. Bonds3

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

5-(2-iodophenyl)-3-[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 171851809) has the molecular formula C18H15IN4O and a molecular weight of 430.25 g/mol. Its IUPAC name is 5-(2-iodophenyl)-3-[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-iodophenyl)-3-[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole
PubChem CID171851809
Molecular FormulaC18H15IN4O
Molecular Weight430.25 g/mol
Exact Mass430.03
IUPAC Name5-(2-iodophenyl)-3-[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole
SMILESCC1CN=C(c2ccc(-c3noc(-c4ccccc4I)n3)cc2)N1
InChIInChI=1S/C18H15IN4O/c1-11-10-20-16(21-11)12-6-8-13(9-7-12)17-22-18(24-23-17)14-4-2-3-5-15(14)19/h2-9,11H,10H2,1H3,(H,20,21)
InChIKeyBVXUHZFGMXODKF-UHFFFAOYSA-N
XLogP3.75
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.25
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-iodophenyl)-3-[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2-iodophenyl)-3-[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole (CID 171851809) is 5-(2-iodophenyl)-3-[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-iodophenyl)-3-[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-iodophenyl)-3-[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole is CC1CN=C(c2ccc(-c3noc(-c4ccccc4I)n3)cc2)N1.
What is the InChIKey of 5-(2-iodophenyl)-3-[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is BVXUHZFGMXODKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15IN4O/c1-11-10-20-16(21-11)12-6-8-13(9-7-12)17-22-18(24-23-17)14-4-2-3-5-15(14)19/h2-9,11H,10H2,1H3,(H,20,21).
What are the key properties of 5-(2-iodophenyl)-3-[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole?
5-(2-iodophenyl)-3-[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 430.25 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-iodophenyl)-3-[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 171851809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).