N-chloro-5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-1H-benzimidazol-2-amine;N-[5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-hydroxy-1H-benzimidazol-2-yl]acetamide;N-[5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-1H-benzimidazol-2-yl]acetamide;methane

C57H55ClF3N15O8 — CID 158661740

About N-chloro-5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-1H-benzimidazol-2-amine;N-[5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-hydroxy-1H-benzimidazol-2-yl]acetamide;N-[5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-1H-benzimidazol-2-yl]acetamide;methane

N-chloro-5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-1H-benzimidazol-2-amine;N-[5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-hydroxy-1H-benzimidazol-2-yl]acetamide;N-[5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-1H-benzimidazol-2-yl]acetamide;methane (PubChem CID 158661740) has the molecular formula C57H55ClF3N15O8 and a molecular weight of 1170.61 g/mol. Its IUPAC name is N-chloro-5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-1H-benzimidazol-2-amine;N-[5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-hydroxy-1H-benzimidazol-2-yl]acetamide;N-[5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-1H-benzimidazol-2-yl]acetamide;methane.

Molecular Properties

• Compound Name: N-chloro-5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-1H-benzimidazol-2-amine;N-[5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-hydroxy-1H-benzimidazol-2-yl]acetamide;N-[5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-1H-benzimidazol-2-yl]acetamide;methane
• PubChem CID: 158661740
• Molecular Formula: C57H55ClF3N15O8
• Molecular Weight: 1170.61 g/mol
• Exact Mass: 1169.40
• IUPAC Name: N-chloro-5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-1H-benzimidazol-2-amine;N-[5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-hydroxy-1H-benzimidazol-2-yl]acetamide;N-[5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-1H-benzimidazol-2-yl]acetamide;methane
• SMILES: C.C.C.CC(=O)Nc1nc2c(O)c(-c3nnc(Cc4ccc(F)cc4)o3)ccc2[nH]1.COc1c(-c2nnc(Cc3ccc(F)cc3)o2)ccc2[nH]c(NC(C)=O)nc12.COc1c(-c2nnc(Cc3ccc(F)cc3)o2)ccc2[nH]c(NCl)nc12
• InChI: InChI=1S/C19H16FN5O3.C18H14FN5O3.C17H13ClFN5O2.3CH4/c1-10(26)21-19-22-14-8-7-13(17(27-2)16(14)23-19)18-25-24-15(28-18)9-11-3-5-12(20)6-4-11;1-9(25)20-18-21-13-7-6-12(16(26)15(13)22-18)17-24-23-14(27-17)8-10-2-4-11(19)5-3-10;1-25-15-11(6-7-12-14(15)21-17(20-12)22-18)16-24-23-13(26-16)8-9-2-4-10(19)5-3-9;;;/h3-8H,9H2,1-2H3,(H2,21,22,23,26);2-7,26H,8H2,1H3,(H2,20,21,22,25);2-7H,8H2,1H3,(H2,20,21,22);3*1H4
• InChIKey: ICVMZEGMLCZBGK-UHFFFAOYSA-N
• XLogP: 12.14
• TPSA: 311.72 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1170.61
LogP ≤ 5	12.14
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-chloro-5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-1H-benzimidazol-2-amine;N-[5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-hydroxy-1H-benzimidazol-2-yl]acetamide;N-[5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-1H-benzimidazol-2-yl]acetamide;methane?

The IUPAC name of N-chloro-5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-1H-benzimidazol-2-amine;N-[5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-hydroxy-1H-benzimidazol-2-yl]acetamide;N-[5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-1H-benzimidazol-2-yl]acetamide;methane (CID 158661740) is N-chloro-5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-1H-benzimidazol-2-amine;N-[5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-hydroxy-1H-benzimidazol-2-yl]acetamide;N-[5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-1H-benzimidazol-2-yl]acetamide;methane.

What is the SMILES notation for N-chloro-5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-1H-benzimidazol-2-amine;N-[5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-hydroxy-1H-benzimidazol-2-yl]acetamide;N-[5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-1H-benzimidazol-2-yl]acetamide;methane?

The canonical SMILES for N-chloro-5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-1H-benzimidazol-2-amine;N-[5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-hydroxy-1H-benzimidazol-2-yl]acetamide;N-[5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-1H-benzimidazol-2-yl]acetamide;methane is C.C.C.CC(=O)Nc1nc2c(O)c(-c3nnc(Cc4ccc(F)cc4)o3)ccc2[nH]1.COc1c(-c2nnc(Cc3ccc(F)cc3)o2)ccc2[nH]c(NC(C)=O)nc12.COc1c(-c2nnc(Cc3ccc(F)cc3)o2)ccc2[nH]c(NCl)nc12.

What is the InChIKey of N-chloro-5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-1H-benzimidazol-2-amine;N-[5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-hydroxy-1H-benzimidazol-2-yl]acetamide;N-[5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-1H-benzimidazol-2-yl]acetamide;methane?

The InChIKey is ICVMZEGMLCZBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O3.C18H14FN5O3.C17H13ClFN5O2.3CH4/c1-10(26)21-19-22-14-8-7-13(17(27-2)16(14)23-19)18-25-24-15(28-18)9-11-3-5-12(20)6-4-11;1-9(25)20-18-21-13-7-6-12(16(26)15(13)22-18)17-24-23-14(27-17)8-10-2-4-11(19)5-3-10;1-25-15-11(6-7-12-14(15)21-17(20-12)22-18)16-24-23-13(26-16)8-9-2-4-10(19)5-3-9;;;/h3-8H,9H2,1-2H3,(H2,21,22,23,26);2-7,26H,8H2,1H3,(H2,20,21,22,25);2-7H,8H2,1H3,(H2,20,21,22);3*1H4.

What are the key properties of N-chloro-5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-1H-benzimidazol-2-amine;N-[5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-hydroxy-1H-benzimidazol-2-yl]acetamide;N-[5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-1H-benzimidazol-2-yl]acetamide;methane?

N-chloro-5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-1H-benzimidazol-2-amine;N-[5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-hydroxy-1H-benzimidazol-2-yl]acetamide;N-[5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-1H-benzimidazol-2-yl]acetamide;methane has a molecular weight of 1170.61 g/mol, XLogP of 12.14, 14 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-chloro-5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-1H-benzimidazol-2-amine;N-[5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-hydroxy-1H-benzimidazol-2-yl]acetamide;N-[5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-1H-benzimidazol-2-yl]acetamide;methane is sourced from PubChem (CID 158661740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).