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

C26H25FN8O — CID 137479134

IUPACN-[4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-amine
SMILESCc1noc(-c2ccc3nc(Nc4cc(CN5CCN(c6cccc(F)c6)CC5)ccn4)[nH]c3c2)n1
InChIInChI=1S/C26H25FN8O/c1-17-29-25(36-33-17)19-5-6-22-23(14-19)31-26(30-22)32-24-13-18(7-8-28-24)16-34-9-11-35(12-10-34)21-4-2-3-20(27)15-21/h2-8,13-15H,9-12,16H2,1H3,(H2,28,30,31,32)
InChIKeyXHQMRAIWYFEHPM-UHFFFAOYSA-N
MW484.54 g/mol
LogP4.52
Rot. Bonds6

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

N-[4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-amine (PubChem CID 137479134) has the molecular formula C26H25FN8O and a molecular weight of 484.54 g/mol. Its IUPAC name is N-[4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-amine
PubChem CID137479134
Molecular FormulaC26H25FN8O
Molecular Weight484.54 g/mol
Exact Mass484.21
IUPAC NameN-[4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-amine
SMILESCc1noc(-c2ccc3nc(Nc4cc(CN5CCN(c6cccc(F)c6)CC5)ccn4)[nH]c3c2)n1
InChIInChI=1S/C26H25FN8O/c1-17-29-25(36-33-17)19-5-6-22-23(14-19)31-26(30-22)32-24-13-18(7-8-28-24)16-34-9-11-35(12-10-34)21-4-2-3-20(27)15-21/h2-8,13-15H,9-12,16H2,1H3,(H2,28,30,31,32)
InChIKeyXHQMRAIWYFEHPM-UHFFFAOYSA-N
XLogP4.52
TPSA99.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.54
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(3-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-(3-fluorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-amine (CID 137479134) is N-[4-[[4-(3-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-(3-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-(3-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(c6cccc(F)c6)CC5)ccn4)[nH]c3c2)n1.
What is the InChIKey of N-[4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-amine?
The InChIKey is XHQMRAIWYFEHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN8O/c1-17-29-25(36-33-17)19-5-6-22-23(14-19)31-26(30-22)32-24-13-18(7-8-28-24)16-34-9-11-35(12-10-34)21-4-2-3-20(27)15-21/h2-8,13-15H,9-12,16H2,1H3,(H2,28,30,31,32).
What are the key properties of N-[4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]-2-pyridinyl]-6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-amine?
N-[4-[[4-(3-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-(3-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 137479134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).