2-(1H-benzimidazol-2-ylsulfanyl)propanedinitrile

C10H6N4S — CID 2814568

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)propanedinitrile
SMILESN#CC(C#N)Sc1nc2ccccc2[nH]1
InChIInChI=1S/C10H6N4S/c11-5-7(6-12)15-10-13-8-3-1-2-4-9(8)14-10/h1-4,7H,(H,13,14)
InChIKeyIHMPKLACJULSTD-UHFFFAOYSA-N
MW214.25 g/mol
LogP2.07
Rot. Bonds2

About 2-(1H-benzimidazol-2-ylsulfanyl)propanedinitrile

2-(1H-benzimidazol-2-ylsulfanyl)propanedinitrile (PubChem CID 2814568) has the molecular formula C10H6N4S and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)propanedinitrile.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)propanedinitrile
PubChem CID2814568
Molecular FormulaC10H6N4S
Molecular Weight214.25 g/mol
Exact Mass214.03
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)propanedinitrile
SMILESN#CC(C#N)Sc1nc2ccccc2[nH]1
InChIInChI=1S/C10H6N4S/c11-5-7(6-12)15-10-13-8-3-1-2-4-9(8)14-10/h1-4,7H,(H,13,14)
InChIKeyIHMPKLACJULSTD-UHFFFAOYSA-N
XLogP2.07
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-benzimidazol-2-ylsulfanyl)-3-(2-methylphenyl)propanenitrile
CID 139229328
3-(1H-benzimidazol-2-ylsulfanyl)-2-methylpropanenitrile
CID 43242882
1H-benzimidazol-2-yl(1H-benzimidazol-2-ylsulfanyl)methanethiol
CID 123438509
2,3-bis(1H-benzimidazol-2-ylsulfanyl)-1-N',4-N'-dihydroxybutanediimidamide
CID 173429813
1H-benzimidazol-2-yl thiohypoiodite
CID 142014861
2-(1H-benzimidazol-2-ylsulfanyl)propanoic acid
CID 591299
4-(1H-benzimidazol-2-ylsulfanyl)-3-oxo-2-phenylbutanenitrile
CID 4826206
2-[2-(1H-benzimidazol-2-ylsulfanyl)ethoxy]propanenitrile
CID 114266467
2-(1H-benzimidazol-2-ylsulfanylmethyl)benzonitrile;hydrobromide
CID 20997813
2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylethanamine
CID 55017219
1H-benzimidazole-2-carbonitrile
CID 843858
4-(1H-benzimidazol-2-ylsulfanyl)-2-(ethylamino)butanenitrile
CID 63053189

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)propanedinitrile?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)propanedinitrile (CID 2814568) is 2-(1H-benzimidazol-2-ylsulfanyl)propanedinitrile.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)propanedinitrile?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)propanedinitrile is N#CC(C#N)Sc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)propanedinitrile?
The InChIKey is IHMPKLACJULSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4S/c11-5-7(6-12)15-10-13-8-3-1-2-4-9(8)14-10/h1-4,7H,(H,13,14).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)propanedinitrile?
2-(1H-benzimidazol-2-ylsulfanyl)propanedinitrile has a molecular weight of 214.25 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)propanedinitrile is sourced from PubChem (CID 2814568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).