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

C23H18N4O2 — CID 155811202

IUPAC3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc2nc(-c3ccc(-c4noc(-c5ccc(C)cc5)n4)cc3)[nH]c2c1
InChIInChI=1S/C23H18N4O2/c1-14-3-5-17(6-4-14)23-26-22(27-29-23)16-9-7-15(8-10-16)21-24-19-12-11-18(28-2)13-20(19)25-21/h3-13H,1-2H3,(H,24,25)
InChIKeyFTEZCDCXKMURTE-UHFFFAOYSA-N
MW382.42 g/mol
LogP5.26
Rot. Bonds4

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

3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 155811202) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID155811202
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc2nc(-c3ccc(-c4noc(-c5ccc(C)cc5)n4)cc3)[nH]c2c1
InChIInChI=1S/C23H18N4O2/c1-14-3-5-17(6-4-14)23-26-22(27-29-23)16-9-7-15(8-10-16)21-24-19-12-11-18(28-2)13-20(19)25-21/h3-13H,1-2H3,(H,24,25)
InChIKeyFTEZCDCXKMURTE-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-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole (CID 155811202) is 3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole is COc1ccc2nc(-c3ccc(-c4noc(-c5ccc(C)cc5)n4)cc3)[nH]c2c1.
What is the InChIKey of 3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is FTEZCDCXKMURTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c1-14-3-5-17(6-4-14)23-26-22(27-29-23)16-9-7-15(8-10-16)21-24-19-12-11-18(28-2)13-20(19)25-21/h3-13H,1-2H3,(H,24,25).
What are the key properties of 3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole?
3-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-(4-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-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 155811202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).