3-[4-(1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole

C23H18N4O2 — CID 118631898

IUPAC3-[4-(1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)no2)cc1C
InChIInChI=1S/C23H18N4O2/c1-14-13-17(11-12-20(14)28-2)23-26-22(27-29-23)16-9-7-15(8-10-16)21-24-18-5-3-4-6-19(18)25-21/h3-13H,1-2H3,(H,24,25)
InChIKeyUOSBBLTVXZJDKH-UHFFFAOYSA-N
MW382.42 g/mol
LogP5.26
Rot. Bonds4

About 3-[4-(1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole

3-[4-(1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole (PubChem CID 118631898) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-[4-(1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole
PubChem CID118631898
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name3-[4-(1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)no2)cc1C
InChIInChI=1S/C23H18N4O2/c1-14-13-17(11-12-20(14)28-2)23-26-22(27-29-23)16-9-7-15(8-10-16)21-24-18-5-3-4-6-19(18)25-21/h3-13H,1-2H3,(H,24,25)
InChIKeyUOSBBLTVXZJDKH-UHFFFAOYSA-N
XLogP5.26
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.42
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole (CID 118631898) is 3-[4-(1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole is COc1ccc(-c2nc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)no2)cc1C.
What is the InChIKey of 3-[4-(1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is UOSBBLTVXZJDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c1-14-13-17(11-12-20(14)28-2)23-26-22(27-29-23)16-9-7-15(8-10-16)21-24-18-5-3-4-6-19(18)25-21/h3-13H,1-2H3,(H,24,25).
What are the key properties of 3-[4-(1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole?
3-[4-(1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 382.42 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 118631898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).