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

C23H17ClN4O2 — CID 118631915

IUPAC3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cc3)no2)cc1C
InChIInChI=1S/C23H17ClN4O2/c1-13-11-16(7-10-20(13)29-2)23-27-22(28-30-23)15-5-3-14(4-6-15)21-25-18-9-8-17(24)12-19(18)26-21/h3-12H,1-2H3,(H,25,26)
InChIKeyXHCBBYRXNFNIJE-UHFFFAOYSA-N
MW416.87 g/mol
LogP5.92
Rot. Bonds4

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

3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole (PubChem CID 118631915) has the molecular formula C23H17ClN4O2 and a molecular weight of 416.87 g/mol. Its IUPAC name is 3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole
PubChem CID118631915
Molecular FormulaC23H17ClN4O2
Molecular Weight416.87 g/mol
Exact Mass416.10
IUPAC Name3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cc3)no2)cc1C
InChIInChI=1S/C23H17ClN4O2/c1-13-11-16(7-10-20(13)29-2)23-27-22(28-30-23)15-5-3-14(4-6-15)21-25-18-9-8-17(24)12-19(18)26-21/h3-12H,1-2H3,(H,25,26)
InChIKeyXHCBBYRXNFNIJE-UHFFFAOYSA-N
XLogP5.92
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.87
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole (CID 118631915) is 3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole is COc1ccc(-c2nc(-c3ccc(-c4nc5ccc(Cl)cc5[nH]4)cc3)no2)cc1C.
What is the InChIKey of 3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is XHCBBYRXNFNIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O2/c1-13-11-16(7-10-20(13)29-2)23-27-22(28-30-23)15-5-3-14(4-6-15)21-25-18-9-8-17(24)12-19(18)26-21/h3-12H,1-2H3,(H,25,26).
What are the key properties of 3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole?
3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 416.87 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 118631915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).