3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propanenitrile

C15H18N4O — CID 84816437

IUPAC3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propanenitrile
SMILESN#CCCOc1ccc2nc(C3CCCNC3)[nH]c2c1
InChIInChI=1S/C15H18N4O/c16-6-2-8-20-12-4-5-13-14(9-12)19-15(18-13)11-3-1-7-17-10-11/h4-5,9,11,17H,1-3,7-8,10H2,(H,18,19)
InChIKeyFVLJJFHINZPWFG-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.32
Rot. Bonds4

About 3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propanenitrile

3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propanenitrile (PubChem CID 84816437) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propanenitrile.

Molecular Properties

Compound Name3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propanenitrile
PubChem CID84816437
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propanenitrile
SMILESN#CCCOc1ccc2nc(C3CCCNC3)[nH]c2c1
InChIInChI=1S/C15H18N4O/c16-6-2-8-20-12-4-5-13-14(9-12)19-15(18-13)11-3-1-7-17-10-11/h4-5,9,11,17H,1-3,7-8,10H2,(H,18,19)
InChIKeyFVLJJFHINZPWFG-UHFFFAOYSA-N
XLogP2.32
TPSA73.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol
CID 84816442
6-ethoxy-2-piperidin-3-yl-1H-benzimidazole
CID 82331880
3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propanethioamide
CID 84816445
2-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]ethanethioamide
CID 84816446
6-methoxy-2-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole
CID 129371343
2-piperidin-3-yl-3H-benzimidazole-5-carboxylic acid
CID 83424440
2-[(3S)-piperidin-3-yl]-1H-benzimidazole;dihydrochloride
CID 131870823
6-(piperazin-1-ylmethyl)-2-piperidin-3-yl-1H-benzimidazole
CID 83949259
2-cyclooctyl-3H-benzimidazole-5-carbonitrile
CID 79004189
2-cyclohexyl-6-pyrrolidin-3-yl-1H-benzimidazole
CID 82501973
2-cyclopropyl-6-(piperidin-3-ylmethyl)-1H-benzimidazole
CID 117391858
6-phenyl-2-pyrrolidin-3-yl-1H-benzimidazole
CID 130454688

Frequently Asked Questions

What is the IUPAC name of 3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propanenitrile?
The IUPAC name of 3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propanenitrile (CID 84816437) is 3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propanenitrile.
What is the SMILES notation for 3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propanenitrile?
The canonical SMILES for 3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propanenitrile is N#CCCOc1ccc2nc(C3CCCNC3)[nH]c2c1.
What is the InChIKey of 3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propanenitrile?
The InChIKey is FVLJJFHINZPWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c16-6-2-8-20-12-4-5-13-14(9-12)19-15(18-13)11-3-1-7-17-10-11/h4-5,9,11,17H,1-3,7-8,10H2,(H,18,19).
What are the key properties of 3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propanenitrile?
3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propanenitrile has a molecular weight of 270.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propanenitrile is sourced from PubChem (CID 84816437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).