2-(4-propylthiadiazol-5-yl)-1H-benzimidazole-4-carbonitrile

C13H11N5S — CID 136848857

IUPAC2-(4-propylthiadiazol-5-yl)-1H-benzimidazole-4-carbonitrile
SMILESCCCc1nnsc1-c1nc2c(C#N)cccc2[nH]1
InChIInChI=1S/C13H11N5S/c1-2-4-10-12(19-18-17-10)13-15-9-6-3-5-8(7-14)11(9)16-13/h3,5-6H,2,4H2,1H3,(H,15,16)
InChIKeyHCSBBFFKUJOJSQ-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.91
Rot. Bonds3

About 2-(4-propylthiadiazol-5-yl)-1H-benzimidazole-4-carbonitrile

2-(4-propylthiadiazol-5-yl)-1H-benzimidazole-4-carbonitrile (PubChem CID 136848857) has the molecular formula C13H11N5S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-(4-propylthiadiazol-5-yl)-1H-benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-(4-propylthiadiazol-5-yl)-1H-benzimidazole-4-carbonitrile
PubChem CID136848857
Molecular FormulaC13H11N5S
Molecular Weight269.33 g/mol
Exact Mass269.07
IUPAC Name2-(4-propylthiadiazol-5-yl)-1H-benzimidazole-4-carbonitrile
SMILESCCCc1nnsc1-c1nc2c(C#N)cccc2[nH]1
InChIInChI=1S/C13H11N5S/c1-2-4-10-12(19-18-17-10)13-15-9-6-3-5-8(7-14)11(9)16-13/h3,5-6H,2,4H2,1H3,(H,15,16)
InChIKeyHCSBBFFKUJOJSQ-UHFFFAOYSA-N
XLogP2.91
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propylthiadiazol-5-yl)-1H-benzimidazole-4-carbonitrile?
The IUPAC name of 2-(4-propylthiadiazol-5-yl)-1H-benzimidazole-4-carbonitrile (CID 136848857) is 2-(4-propylthiadiazol-5-yl)-1H-benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-(4-propylthiadiazol-5-yl)-1H-benzimidazole-4-carbonitrile?
The canonical SMILES for 2-(4-propylthiadiazol-5-yl)-1H-benzimidazole-4-carbonitrile is CCCc1nnsc1-c1nc2c(C#N)cccc2[nH]1.
What is the InChIKey of 2-(4-propylthiadiazol-5-yl)-1H-benzimidazole-4-carbonitrile?
The InChIKey is HCSBBFFKUJOJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5S/c1-2-4-10-12(19-18-17-10)13-15-9-6-3-5-8(7-14)11(9)16-13/h3,5-6H,2,4H2,1H3,(H,15,16).
What are the key properties of 2-(4-propylthiadiazol-5-yl)-1H-benzimidazole-4-carbonitrile?
2-(4-propylthiadiazol-5-yl)-1H-benzimidazole-4-carbonitrile has a molecular weight of 269.33 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylthiadiazol-5-yl)-1H-benzimidazole-4-carbonitrile is sourced from PubChem (CID 136848857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).