4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide

C24H18FN5O2 — CID 50828677

IUPAC4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide
SMILESCc1ccc2nc(CNC(=O)c3ccc(-c4nc(-c5ccc(F)cc5)no4)cc3)[nH]c2c1
InChIInChI=1S/C24H18FN5O2/c1-14-2-11-19-20(12-14)28-21(27-19)13-26-23(31)16-3-5-17(6-4-16)24-29-22(30-32-24)15-7-9-18(25)10-8-15/h2-12H,13H2,1H3,(H,26,31)(H,27,28)
InChIKeyNVQXOJTXLJNDIP-UHFFFAOYSA-N
MW427.44 g/mol
LogP4.66
Rot. Bonds5

About 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide

4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide (PubChem CID 50828677) has the molecular formula C24H18FN5O2 and a molecular weight of 427.44 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide
PubChem CID50828677
Molecular FormulaC24H18FN5O2
Molecular Weight427.44 g/mol
Exact Mass427.14
IUPAC Name4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide
SMILESCc1ccc2nc(CNC(=O)c3ccc(-c4nc(-c5ccc(F)cc5)no4)cc3)[nH]c2c1
InChIInChI=1S/C24H18FN5O2/c1-14-2-11-19-20(12-14)28-21(27-19)13-26-23(31)16-3-5-17(6-4-16)24-29-22(30-32-24)15-7-9-18(25)10-8-15/h2-12H,13H2,1H3,(H,26,31)(H,27,28)
InChIKeyNVQXOJTXLJNDIP-UHFFFAOYSA-N
XLogP4.66
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide?
The IUPAC name of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide (CID 50828677) is 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide is Cc1ccc2nc(CNC(=O)c3ccc(-c4nc(-c5ccc(F)cc5)no4)cc3)[nH]c2c1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide?
The InChIKey is NVQXOJTXLJNDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O2/c1-14-2-11-19-20(12-14)28-21(27-19)13-26-23(31)16-3-5-17(6-4-16)24-29-22(30-32-24)15-7-9-18(25)10-8-15/h2-12H,13H2,1H3,(H,26,31)(H,27,28).
What are the key properties of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide?
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide has a molecular weight of 427.44 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 50828677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).