5-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]pentanenitrile

C15H14N4S — CID 652118

IUPAC5-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]pentanenitrile
SMILESN#CCCCCn1c(-c2cncs2)nc2ccccc21
InChIInChI=1S/C15H14N4S/c16-8-4-1-5-9-19-13-7-3-2-6-12(13)18-15(19)14-10-17-11-20-14/h2-3,6-7,10-11H,1,4-5,9H2
InChIKeySDMDKNIEDIZLFG-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.85
Rot. Bonds5

About 5-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]pentanenitrile

5-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]pentanenitrile (PubChem CID 652118) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 5-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]pentanenitrile.

Molecular Properties

Compound Name5-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]pentanenitrile
PubChem CID652118
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name5-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]pentanenitrile
SMILESN#CCCCCn1c(-c2cncs2)nc2ccccc21
InChIInChI=1S/C15H14N4S/c16-8-4-1-5-9-19-13-7-3-2-6-12(13)18-15(19)14-10-17-11-20-14/h2-3,6-7,10-11H,1,4-5,9H2
InChIKeySDMDKNIEDIZLFG-UHFFFAOYSA-N
XLogP3.85
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]pentanenitrile?
The IUPAC name of 5-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]pentanenitrile (CID 652118) is 5-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]pentanenitrile.
What is the SMILES notation for 5-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]pentanenitrile?
The canonical SMILES for 5-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]pentanenitrile is N#CCCCCn1c(-c2cncs2)nc2ccccc21.
What is the InChIKey of 5-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]pentanenitrile?
The InChIKey is SDMDKNIEDIZLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c16-8-4-1-5-9-19-13-7-3-2-6-12(13)18-15(19)14-10-17-11-20-14/h2-3,6-7,10-11H,1,4-5,9H2.
What are the key properties of 5-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]pentanenitrile?
5-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]pentanenitrile has a molecular weight of 282.37 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]pentanenitrile is sourced from PubChem (CID 652118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).