N-butyl-N-ethyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide

C26H33FN4O — CID 124825915

IUPACN-butyl-N-ethyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
SMILESCCCCN(CC)C(=O)C1CCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)CC1
InChIInChI=1S/C26H33FN4O/c1-3-5-16-30(4-2)26(32)20-14-17-29(18-15-20)19-25-28-23-8-6-7-9-24(23)31(25)22-12-10-21(27)11-13-22/h6-13,20H,3-5,14-19H2,1-2H3
InChIKeyWIRZQAXYJARBJM-UHFFFAOYSA-N
MW436.58 g/mol
LogP5.03
Rot. Bonds8

About N-butyl-N-ethyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide

N-butyl-N-ethyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 124825915) has the molecular formula C26H33FN4O and a molecular weight of 436.58 g/mol. Its IUPAC name is N-butyl-N-ethyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
PubChem CID124825915
Molecular FormulaC26H33FN4O
Molecular Weight436.58 g/mol
Exact Mass436.26
IUPAC NameN-butyl-N-ethyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
SMILESCCCCN(CC)C(=O)C1CCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)CC1
InChIInChI=1S/C26H33FN4O/c1-3-5-16-30(4-2)26(32)20-14-17-29(18-15-20)19-25-28-23-8-6-7-9-24(23)31(25)22-12-10-21(27)11-13-22/h6-13,20H,3-5,14-19H2,1-2H3
InChIKeyWIRZQAXYJARBJM-UHFFFAOYSA-N
XLogP5.03
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-butyl-N-ethyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide (CID 124825915) is N-butyl-N-ethyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-N-ethyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-butyl-N-ethyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide is CCCCN(CC)C(=O)C1CCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)CC1.
What is the InChIKey of N-butyl-N-ethyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide?
The InChIKey is WIRZQAXYJARBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN4O/c1-3-5-16-30(4-2)26(32)20-14-17-29(18-15-20)19-25-28-23-8-6-7-9-24(23)31(25)22-12-10-21(27)11-13-22/h6-13,20H,3-5,14-19H2,1-2H3.
What are the key properties of N-butyl-N-ethyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide?
N-butyl-N-ethyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 436.58 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 124825915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).