N-[3-[1-[4-[1-(4-fluorophenyl)benzimidazol-2-yl]butyl]piperidin-4-yl]phenyl]acetamide

C30H33FN4O — CID 46933538

IUPACN-[3-[1-[4-[1-(4-fluorophenyl)benzimidazol-2-yl]butyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCCc3nc4ccccc4n3-c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C30H33FN4O/c1-22(36)32-26-8-6-7-24(21-26)23-16-19-34(20-17-23)18-5-4-11-30-33-28-9-2-3-10-29(28)35(30)27-14-12-25(31)13-15-27/h2-3,6-10,12-15,21,23H,4-5,11,16-20H2,1H3,(H,32,36)
InChIKeyXWBYTRHYSGYXMI-UHFFFAOYSA-N
MW484.62 g/mol
LogP6.33
Rot. Bonds8

About N-[3-[1-[4-[1-(4-fluorophenyl)benzimidazol-2-yl]butyl]piperidin-4-yl]phenyl]acetamide

N-[3-[1-[4-[1-(4-fluorophenyl)benzimidazol-2-yl]butyl]piperidin-4-yl]phenyl]acetamide (PubChem CID 46933538) has the molecular formula C30H33FN4O and a molecular weight of 484.62 g/mol. Its IUPAC name is N-[3-[1-[4-[1-(4-fluorophenyl)benzimidazol-2-yl]butyl]piperidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[4-[1-(4-fluorophenyl)benzimidazol-2-yl]butyl]piperidin-4-yl]phenyl]acetamide
PubChem CID46933538
Molecular FormulaC30H33FN4O
Molecular Weight484.62 g/mol
Exact Mass484.26
IUPAC NameN-[3-[1-[4-[1-(4-fluorophenyl)benzimidazol-2-yl]butyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCCc3nc4ccccc4n3-c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C30H33FN4O/c1-22(36)32-26-8-6-7-24(21-26)23-16-19-34(20-17-23)18-5-4-11-30-33-28-9-2-3-10-29(28)35(30)27-14-12-25(31)13-15-27/h2-3,6-10,12-15,21,23H,4-5,11,16-20H2,1H3,(H,32,36)
InChIKeyXWBYTRHYSGYXMI-UHFFFAOYSA-N
XLogP6.33
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.62
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[4-[1-(4-fluorophenyl)benzimidazol-2-yl]butyl]piperidin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[4-[1-(4-fluorophenyl)benzimidazol-2-yl]butyl]piperidin-4-yl]phenyl]acetamide (CID 46933538) is N-[3-[1-[4-[1-(4-fluorophenyl)benzimidazol-2-yl]butyl]piperidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[4-[1-(4-fluorophenyl)benzimidazol-2-yl]butyl]piperidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[4-[1-(4-fluorophenyl)benzimidazol-2-yl]butyl]piperidin-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(C2CCN(CCCCc3nc4ccccc4n3-c3ccc(F)cc3)CC2)c1.
What is the InChIKey of N-[3-[1-[4-[1-(4-fluorophenyl)benzimidazol-2-yl]butyl]piperidin-4-yl]phenyl]acetamide?
The InChIKey is XWBYTRHYSGYXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN4O/c1-22(36)32-26-8-6-7-24(21-26)23-16-19-34(20-17-23)18-5-4-11-30-33-28-9-2-3-10-29(28)35(30)27-14-12-25(31)13-15-27/h2-3,6-10,12-15,21,23H,4-5,11,16-20H2,1H3,(H,32,36).
What are the key properties of N-[3-[1-[4-[1-(4-fluorophenyl)benzimidazol-2-yl]butyl]piperidin-4-yl]phenyl]acetamide?
N-[3-[1-[4-[1-(4-fluorophenyl)benzimidazol-2-yl]butyl]piperidin-4-yl]phenyl]acetamide has a molecular weight of 484.62 g/mol, XLogP of 6.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[4-[1-(4-fluorophenyl)benzimidazol-2-yl]butyl]piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 46933538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).