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

C21H24FN5O2 — CID 152831666

IUPACN-[5-(1H-benzimidazol-2-yl)pentyl]-N'-[(3-fluoro-2-pyridinyl)methyl]propanediamide
SMILESO=C(CC(=O)NCc1ncccc1F)NCCCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C21H24FN5O2/c22-15-7-6-12-23-18(15)14-25-21(29)13-20(28)24-11-5-1-2-10-19-26-16-8-3-4-9-17(16)27-19/h3-4,6-9,12H,1-2,5,10-11,13-14H2,(H,24,28)(H,25,29)(H,26,27)
InChIKeySWIFILRPHLCRME-UHFFFAOYSA-N
MW397.45 g/mol
LogP2.63
Rot. Bonds10

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

N-[5-(1H-benzimidazol-2-yl)pentyl]-N'-[(3-fluoro-2-pyridinyl)methyl]propanediamide (PubChem CID 152831666) has the molecular formula C21H24FN5O2 and a molecular weight of 397.45 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)pentyl]-N'-[(3-fluoro-2-pyridinyl)methyl]propanediamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)pentyl]-N'-[(3-fluoro-2-pyridinyl)methyl]propanediamide
PubChem CID152831666
Molecular FormulaC21H24FN5O2
Molecular Weight397.45 g/mol
Exact Mass397.19
IUPAC NameN-[5-(1H-benzimidazol-2-yl)pentyl]-N'-[(3-fluoro-2-pyridinyl)methyl]propanediamide
SMILESO=C(CC(=O)NCc1ncccc1F)NCCCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C21H24FN5O2/c22-15-7-6-12-23-18(15)14-25-21(29)13-20(28)24-11-5-1-2-10-19-26-16-8-3-4-9-17(16)27-19/h3-4,6-9,12H,1-2,5,10-11,13-14H2,(H,24,28)(H,25,29)(H,26,27)
InChIKeySWIFILRPHLCRME-UHFFFAOYSA-N
XLogP2.63
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-[5-(1H-benzimidazol-2-yl)pentyl]-N-[(3-fluoro-2-pyridinyl)methyl]benzamide
CID 158952277
2-[2-[[2-(1H-benzimidazol-2-yl)acetyl]amino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 129052446
4-[1-[2-(1H-benzimidazol-2-yl)ethyl]azetidin-3-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-4-oxobutanamide
CID 157259808
2-[[2-(1H-benzimidazol-2-yl)ethylamino]methyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;trihydrochloride
CID 140928409
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 5297042
1-[2-[2-(1H-benzimidazol-2-yl)ethylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]triazole-4-carboxamide
CID 129067472
N-[5-(1H-benzimidazol-2-yl)pentyl]-2-methylprop-2-enamide
CID 18783633
N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluoro-1H-indole-2-carboxamide
CID 36806947
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
1-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-3,5-dimethylpyrazole-4-carboxamide
CID 129066945
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

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)pentyl]-N'-[(3-fluoro-2-pyridinyl)methyl]propanediamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)pentyl]-N'-[(3-fluoro-2-pyridinyl)methyl]propanediamide (CID 152831666) is N-[5-(1H-benzimidazol-2-yl)pentyl]-N'-[(3-fluoro-2-pyridinyl)methyl]propanediamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)pentyl]-N'-[(3-fluoro-2-pyridinyl)methyl]propanediamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)pentyl]-N'-[(3-fluoro-2-pyridinyl)methyl]propanediamide is O=C(CC(=O)NCc1ncccc1F)NCCCCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)pentyl]-N'-[(3-fluoro-2-pyridinyl)methyl]propanediamide?
The InChIKey is SWIFILRPHLCRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O2/c22-15-7-6-12-23-18(15)14-25-21(29)13-20(28)24-11-5-1-2-10-19-26-16-8-3-4-9-17(16)27-19/h3-4,6-9,12H,1-2,5,10-11,13-14H2,(H,24,28)(H,25,29)(H,26,27).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)pentyl]-N'-[(3-fluoro-2-pyridinyl)methyl]propanediamide?
N-[5-(1H-benzimidazol-2-yl)pentyl]-N'-[(3-fluoro-2-pyridinyl)methyl]propanediamide has a molecular weight of 397.45 g/mol, XLogP of 2.63, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)pentyl]-N'-[(3-fluoro-2-pyridinyl)methyl]propanediamide is sourced from PubChem (CID 152831666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).