3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2,4-oxadiazole

C22H16N4O2 — CID 118624730

IUPAC3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2,4-oxadiazole
SMILESCOc1ccc2nc(-c3ccc(-c4noc(-c5ccccc5)n4)cc3)[nH]c2c1
InChIInChI=1S/C22H16N4O2/c1-27-17-11-12-18-19(13-17)24-20(23-18)14-7-9-15(10-8-14)21-25-22(28-26-21)16-5-3-2-4-6-16/h2-13H,1H3,(H,23,24)
InChIKeyNKVBLROIHIDVLY-UHFFFAOYSA-N
MW368.40 g/mol
LogP4.96
Rot. Bonds4

About 3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2,4-oxadiazole

3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2,4-oxadiazole (PubChem CID 118624730) has the molecular formula C22H16N4O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2,4-oxadiazole
PubChem CID118624730
Molecular FormulaC22H16N4O2
Molecular Weight368.40 g/mol
Exact Mass368.13
IUPAC Name3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2,4-oxadiazole
SMILESCOc1ccc2nc(-c3ccc(-c4noc(-c5ccccc5)n4)cc3)[nH]c2c1
InChIInChI=1S/C22H16N4O2/c1-27-17-11-12-18-19(13-17)24-20(23-18)14-7-9-15(10-8-14)21-25-22(28-26-21)16-5-3-2-4-6-16/h2-13H,1H3,(H,23,24)
InChIKeyNKVBLROIHIDVLY-UHFFFAOYSA-N
XLogP4.96
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2,4-oxadiazole (CID 118624730) is 3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2,4-oxadiazole is COc1ccc2nc(-c3ccc(-c4noc(-c5ccccc5)n4)cc3)[nH]c2c1.
What is the InChIKey of 3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2,4-oxadiazole?
The InChIKey is NKVBLROIHIDVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O2/c1-27-17-11-12-18-19(13-17)24-20(23-18)14-7-9-15(10-8-14)21-25-22(28-26-21)16-5-3-2-4-6-16/h2-13H,1H3,(H,23,24).
What are the key properties of 3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2,4-oxadiazole?
3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2,4-oxadiazole has a molecular weight of 368.40 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 118624730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).