N,N-dibutyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide

C28H37FN4O — CID 124823903

IUPACN,N-dibutyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
SMILESCCCCN(CCCC)C(=O)C1CCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)CC1
InChIInChI=1S/C28H37FN4O/c1-3-5-17-32(18-6-4-2)28(34)22-15-19-31(20-16-22)21-27-30-25-9-7-8-10-26(25)33(27)24-13-11-23(29)12-14-24/h7-14,22H,3-6,15-21H2,1-2H3
InChIKeyLWLOJSOWGFLWLX-UHFFFAOYSA-N
MW464.63 g/mol
LogP5.81
Rot. Bonds10

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

N,N-dibutyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 124823903) has the molecular formula C28H37FN4O and a molecular weight of 464.63 g/mol. Its IUPAC name is N,N-dibutyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-dibutyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
PubChem CID124823903
Molecular FormulaC28H37FN4O
Molecular Weight464.63 g/mol
Exact Mass464.30
IUPAC NameN,N-dibutyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
SMILESCCCCN(CCCC)C(=O)C1CCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)CC1
InChIInChI=1S/C28H37FN4O/c1-3-5-17-32(18-6-4-2)28(34)22-15-19-31(20-16-22)21-27-30-25-9-7-8-10-26(25)33(27)24-13-11-23(29)12-14-24/h7-14,22H,3-6,15-21H2,1-2H3
InChIKeyLWLOJSOWGFLWLX-UHFFFAOYSA-N
XLogP5.81
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.63
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-ethyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124825915
(3S)-N-butyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-propylpiperidine-3-carboxamide
CID 124810168
1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butyl-N-ethylpiperidine-4-carboxamide
CID 124824843
1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-propan-2-yl-N-propylpiperidine-4-carboxamide
CID 124805655
1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N,N-dibutylpiperidine-4-carboxamide
CID 124825837
(3R)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N,N-dipropylpiperidine-3-carboxamide
CID 124808449
(3R)-N-ethyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-propylpiperidine-3-carboxamide
CID 124824164
[1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 124791723
(3R)-1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butyl-N-ethylpiperidine-3-carboxamide
CID 124823906
N-butyl-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-propylpiperidine-4-carboxamide
CID 124823623
1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N-butyl-N-propan-2-ylpiperidine-4-carboxamide
CID 124809772
(3R)-1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N,N-dibutylpiperidine-3-carboxamide
CID 124825872

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N,N-dibutyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide (CID 124823903) is N,N-dibutyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N,N-dibutyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N,N-dibutyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide is CCCCN(CCCC)C(=O)C1CCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)CC1.
What is the InChIKey of N,N-dibutyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide?
The InChIKey is LWLOJSOWGFLWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37FN4O/c1-3-5-17-32(18-6-4-2)28(34)22-15-19-31(20-16-22)21-27-30-25-9-7-8-10-26(25)33(27)24-13-11-23(29)12-14-24/h7-14,22H,3-6,15-21H2,1-2H3.
What are the key properties of N,N-dibutyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide?
N,N-dibutyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 464.63 g/mol, XLogP of 5.81, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 124823903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).