3-[5-(1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]benzamide

C25H25FN4O — CID 158952277

IUPAC3-[5-(1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]benzamide
SMILESO=C(NCc1ncccc1F)c1cccc(CCCCCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C25H25FN4O/c26-20-11-7-15-27-23(20)17-28-25(31)19-10-6-9-18(16-19)8-2-1-3-14-24-29-21-12-4-5-13-22(21)30-24/h4-7,9-13,15-16H,1-3,8,14,17H2,(H,28,31)(H,29,30)
InChIKeyJLORZLQQJOXYPM-UHFFFAOYSA-N
MW416.50 g/mol
LogP4.98
Rot. Bonds9

About 3-[5-(1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]benzamide

3-[5-(1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]benzamide (PubChem CID 158952277) has the molecular formula C25H25FN4O and a molecular weight of 416.50 g/mol. Its IUPAC name is 3-[5-(1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-[5-(1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]benzamide
PubChem CID158952277
Molecular FormulaC25H25FN4O
Molecular Weight416.50 g/mol
Exact Mass416.20
IUPAC Name3-[5-(1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]benzamide
SMILESO=C(NCc1ncccc1F)c1cccc(CCCCCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C25H25FN4O/c26-20-11-7-15-27-23(20)17-28-25(31)19-10-6-9-18(16-19)8-2-1-3-14-24-29-21-12-4-5-13-22(21)30-24/h4-7,9-13,15-16H,1-3,8,14,17H2,(H,28,31)(H,29,30)
InChIKeyJLORZLQQJOXYPM-UHFFFAOYSA-N
XLogP4.98
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(1H-benzimidazol-2-yl)pentyl]-N'-[(3-fluoro-2-pyridinyl)methyl]propanediamide
CID 152831666
2-[[2-(1H-benzimidazol-2-yl)ethylamino]methyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;trihydrochloride
CID 140928409
1-[2-[2-(1H-benzimidazol-2-yl)ethylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]triazole-4-carboxamide
CID 129067472
tert-butyl N-[3-(1H-benzimidazol-2-yl)propyl]-N-[2-[4-[(3-fluoro-2-pyridinyl)methylcarbamoyl]-1,3-thiazol-2-yl]ethyl]carbamate
CID 129052609
2-[2-[[2-(1H-benzimidazol-2-yl)acetyl]amino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 129052446
2-[2-[2-(1H-benzimidazol-2-yl)ethyl-(2-oxopropyl)amino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-oxazole-4-carboxamide;ethane
CID 169130030
N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluoro-1H-indole-2-carboxamide
CID 36806947
4-[1-[2-(1H-benzimidazol-2-yl)ethyl]azetidin-3-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-4-oxobutanamide
CID 157259808
2-[(5S)-3-[2-(1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 145298036
N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide
CID 18105208
1-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide
CID 129066945
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridine-4-carboxamide
CID 103607169

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]benzamide?
The IUPAC name of 3-[5-(1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]benzamide (CID 158952277) is 3-[5-(1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-[5-(1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-[5-(1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]benzamide is O=C(NCc1ncccc1F)c1cccc(CCCCCc2nc3ccccc3[nH]2)c1.
What is the InChIKey of 3-[5-(1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]benzamide?
The InChIKey is JLORZLQQJOXYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O/c26-20-11-7-15-27-23(20)17-28-25(31)19-10-6-9-18(16-19)8-2-1-3-14-24-29-21-12-4-5-13-22(21)30-24/h4-7,9-13,15-16H,1-3,8,14,17H2,(H,28,31)(H,29,30).
What are the key properties of 3-[5-(1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]benzamide?
3-[5-(1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]benzamide has a molecular weight of 416.50 g/mol, XLogP of 4.98, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]benzamide is sourced from PubChem (CID 158952277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).