N-(2,5-difluorophenyl)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide

C26H23F3N4O — CID 20887026

IUPACN-(2,5-difluorophenyl)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)C1CCN(c2nc3ccccc3n2Cc2cccc(F)c2)CC1
InChIInChI=1S/C26H23F3N4O/c27-19-5-3-4-17(14-19)16-33-24-7-2-1-6-22(24)31-26(33)32-12-10-18(11-13-32)25(34)30-23-15-20(28)8-9-21(23)29/h1-9,14-15,18H,10-13,16H2,(H,30,34)
InChIKeyCXVJOBIWJHECCX-UHFFFAOYSA-N
MW464.49 g/mol
LogP5.36
Rot. Bonds5

About N-(2,5-difluorophenyl)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide

N-(2,5-difluorophenyl)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide (PubChem CID 20887026) has the molecular formula C26H23F3N4O and a molecular weight of 464.49 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
PubChem CID20887026
Molecular FormulaC26H23F3N4O
Molecular Weight464.49 g/mol
Exact Mass464.18
IUPAC NameN-(2,5-difluorophenyl)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)C1CCN(c2nc3ccccc3n2Cc2cccc(F)c2)CC1
InChIInChI=1S/C26H23F3N4O/c27-19-5-3-4-17(14-19)16-33-24-7-2-1-6-22(24)31-26(33)32-12-10-18(11-13-32)25(34)30-23-15-20(28)8-9-21(23)29/h1-9,14-15,18H,10-13,16H2,(H,30,34)
InChIKeyCXVJOBIWJHECCX-UHFFFAOYSA-N
XLogP5.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.49
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20887087
1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2,3,4,5,6-pentafluorophenyl)piperidine-4-carboxamide
CID 46261056
N-(2,5-diethoxyphenyl)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20887058
N-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]cyclohexanecarboxamide
CID 90040198
1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 20886832
N-[3-(4-ethylpiperazin-1-yl)propyl]-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20886844
1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 20887075
1-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 20886884
N-[2-(N-ethylanilino)ethyl]-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20882940
N-(5-fluoro-2-methylphenyl)-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 95808046
1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
CID 20883075
N-[2-(3-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 16675649

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide (CID 20887026) is N-(2,5-difluorophenyl)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide is O=C(Nc1cc(F)ccc1F)C1CCN(c2nc3ccccc3n2Cc2cccc(F)c2)CC1.
What is the InChIKey of N-(2,5-difluorophenyl)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide?
The InChIKey is CXVJOBIWJHECCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O/c27-19-5-3-4-17(14-19)16-33-24-7-2-1-6-22(24)31-26(33)32-12-10-18(11-13-32)25(34)30-23-15-20(28)8-9-21(23)29/h1-9,14-15,18H,10-13,16H2,(H,30,34).
What are the key properties of N-(2,5-difluorophenyl)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide?
N-(2,5-difluorophenyl)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide has a molecular weight of 464.49 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 20887026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).