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

C23H18N4O — CID 155556536

IUPAC5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(4-phenylphenyl)-1,2,4-oxadiazole
SMILESc1ccc(-c2ccc(-c3noc(-c4ccc(C5=NCCN5)cc4)n3)cc2)cc1
InChIInChI=1S/C23H18N4O/c1-2-4-16(5-3-1)17-6-8-19(9-7-17)22-26-23(28-27-22)20-12-10-18(11-13-20)21-24-14-15-25-21/h1-13H,14-15H2,(H,24,25)
InChIKeyKFBBOEQHDPWPGK-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.42
Rot. Bonds4

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

5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(4-phenylphenyl)-1,2,4-oxadiazole (PubChem CID 155556536) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(4-phenylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(4-phenylphenyl)-1,2,4-oxadiazole
PubChem CID155556536
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(4-phenylphenyl)-1,2,4-oxadiazole
SMILESc1ccc(-c2ccc(-c3noc(-c4ccc(C5=NCCN5)cc4)n3)cc2)cc1
InChIInChI=1S/C23H18N4O/c1-2-4-16(5-3-1)17-6-8-19(9-7-17)22-26-23(28-27-22)20-12-10-18(11-13-20)21-24-14-15-25-21/h1-13H,14-15H2,(H,24,25)
InChIKeyKFBBOEQHDPWPGK-UHFFFAOYSA-N
XLogP4.42
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(4-phenylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(4-phenylphenyl)-1,2,4-oxadiazole (CID 155556536) is 5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(4-phenylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(4-phenylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(4-phenylphenyl)-1,2,4-oxadiazole is c1ccc(-c2ccc(-c3noc(-c4ccc(C5=NCCN5)cc4)n3)cc2)cc1.
What is the InChIKey of 5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(4-phenylphenyl)-1,2,4-oxadiazole?
The InChIKey is KFBBOEQHDPWPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-2-4-16(5-3-1)17-6-8-19(9-7-17)22-26-23(28-27-22)20-12-10-18(11-13-20)21-24-14-15-25-21/h1-13H,14-15H2,(H,24,25).
What are the key properties of 5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(4-phenylphenyl)-1,2,4-oxadiazole?
5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(4-phenylphenyl)-1,2,4-oxadiazole has a molecular weight of 366.42 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(4-phenylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 155556536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).