N-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methyl]benzamide

C27H27FN4O — CID 90040249

IUPACN-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C27H27FN4O/c28-23-12-10-21(11-13-23)19-32-25-9-5-4-8-24(25)30-27(32)31-16-14-20(15-17-31)18-29-26(33)22-6-2-1-3-7-22/h1-13,20H,14-19H2,(H,29,33)
InChIKeyPIEDHCYPHJRFJO-UHFFFAOYSA-N
MW442.54 g/mol
LogP4.87
Rot. Bonds6

About N-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methyl]benzamide

N-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methyl]benzamide (PubChem CID 90040249) has the molecular formula C27H27FN4O and a molecular weight of 442.54 g/mol. Its IUPAC name is N-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methyl]benzamide
PubChem CID90040249
Molecular FormulaC27H27FN4O
Molecular Weight442.54 g/mol
Exact Mass442.22
IUPAC NameN-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C27H27FN4O/c28-23-12-10-21(11-13-23)19-32-25-9-5-4-8-24(25)30-27(32)31-16-14-20(15-17-31)18-29-26(33)22-6-2-1-3-7-22/h1-13,20H,14-19H2,(H,29,33)
InChIKeyPIEDHCYPHJRFJO-UHFFFAOYSA-N
XLogP4.87
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 90039743
[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]-phenylmethanone;hydrate
CID 110168643
(3S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol
CID 97114323
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 20882882
tert-butyl N-[[(2S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-2-yl]methyl]carbamate
CID 97174261
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide
CID 46324731
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 92716313
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 20886797
N-[3-(diethylamino)propyl]-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20882877
N'-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 45272890
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 90040854
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-methyl-N-(oxan-4-yl)piperidin-4-amine
CID 45269436

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methyl]benzamide?
The IUPAC name of N-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methyl]benzamide (CID 90040249) is N-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for N-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methyl]benzamide?
The canonical SMILES for N-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methyl]benzamide is O=C(NCC1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of N-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methyl]benzamide?
The InChIKey is PIEDHCYPHJRFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O/c28-23-12-10-21(11-13-23)19-32-25-9-5-4-8-24(25)30-27(32)31-16-14-20(15-17-31)18-29-26(33)22-6-2-1-3-7-22/h1-13,20H,14-19H2,(H,29,33).
What are the key properties of N-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methyl]benzamide?
N-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methyl]benzamide has a molecular weight of 442.54 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 90040249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).