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

C26H25FN8O — CID 137479127

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

N-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-amine (PubChem CID 137479127) has the molecular formula C26H25FN8O and a molecular weight of 484.54 g/mol. Its IUPAC name is N-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-amine.

Molecular Properties

• Compound Name: N-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-amine
• PubChem CID: 137479127
• Molecular Formula: C26H25FN8O
• Molecular Weight: 484.54 g/mol
• Exact Mass: 484.21
• IUPAC Name: N-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-amine
• SMILES: Cc1noc(-c2ccc3nc(Nc4cc(CN5CCN(c6ccccc6F)CC5)ccn4)[nH]c3c2)n1
• InChI: InChI=1S/C26H25FN8O/c1-17-29-25(36-33-17)19-6-7-21-22(15-19)31-26(30-21)32-24-14-18(8-9-28-24)16-34-10-12-35(13-11-34)23-5-3-2-4-20(23)27/h2-9,14-15H,10-13,16H2,1H3,(H2,28,30,31,32)
• InChIKey: PBPDJBLWKCHMSQ-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 99.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.54
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-amine?

The IUPAC name of N-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-amine (CID 137479127) is N-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-amine.

What is the SMILES notation for N-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-amine?

The canonical SMILES for N-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-amine is Cc1noc(-c2ccc3nc(Nc4cc(CN5CCN(c6ccccc6F)CC5)ccn4)[nH]c3c2)n1.

What is the InChIKey of N-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-amine?

The InChIKey is PBPDJBLWKCHMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN8O/c1-17-29-25(36-33-17)19-6-7-21-22(15-19)31-26(30-21)32-24-14-18(8-9-28-24)16-34-10-12-35(13-11-34)23-5-3-2-4-20(23)27/h2-9,14-15H,10-13,16H2,1H3,(H2,28,30,31,32).

What are the key properties of N-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-amine?

N-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-amine has a molecular weight of 484.54 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 137479127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).