3-(dimethylamino)-2-sulfanylidene-1H-benzimidazole-5-carbonitrile

C10H10N4S — CID 104714615

IUPAC3-(dimethylamino)-2-sulfanylidene-1H-benzimidazole-5-carbonitrile
SMILESCN(C)n1c(=S)[nH]c2ccc(C#N)cc21
InChIInChI=1S/C10H10N4S/c1-13(2)14-9-5-7(6-11)3-4-8(9)12-10(14)15/h3-5H,1-2H3,(H,12,15)
InChIKeyUKOYSMDMORCMOK-UHFFFAOYSA-N
MW218.28 g/mol
LogP1.77
Rot. Bonds1

About 3-(dimethylamino)-2-sulfanylidene-1H-benzimidazole-5-carbonitrile

3-(dimethylamino)-2-sulfanylidene-1H-benzimidazole-5-carbonitrile (PubChem CID 104714615) has the molecular formula C10H10N4S and a molecular weight of 218.28 g/mol. Its IUPAC name is 3-(dimethylamino)-2-sulfanylidene-1H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name3-(dimethylamino)-2-sulfanylidene-1H-benzimidazole-5-carbonitrile
PubChem CID104714615
Molecular FormulaC10H10N4S
Molecular Weight218.28 g/mol
Exact Mass218.06
IUPAC Name3-(dimethylamino)-2-sulfanylidene-1H-benzimidazole-5-carbonitrile
SMILESCN(C)n1c(=S)[nH]c2ccc(C#N)cc21
InChIInChI=1S/C10H10N4S/c1-13(2)14-9-5-7(6-11)3-4-8(9)12-10(14)15/h3-5H,1-2H3,(H,12,15)
InChIKeyUKOYSMDMORCMOK-UHFFFAOYSA-N
XLogP1.77
TPSA47.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-sulfanylidene-3-(2,2,3,3-tetramethylcyclopropyl)-1H-benzimidazole-5-carbonitrile
CID 104714560
3-pentan-3-yl-2-sulfanylidene-1H-benzimidazole-5-carbonitrile
CID 113444488
3-(dicyclopropylmethyl)-2-sulfanylidene-1H-benzimidazole-5-carbonitrile
CID 104714338
3-(4-fluorophenyl)-2-sulfanylidene-1H-benzimidazole-5-carbonitrile
CID 104714223
2-sulfanylidene-3-(2,3,3-trimethylbutyl)-1H-benzimidazole-5-carbonitrile
CID 104714625
3-[(4-ethylphenyl)methyl]-2-sulfanylidene-1H-benzimidazole-5-carbonitrile
CID 106900293
3-(4-chlorophenyl)-2-sulfanylidene-1H-benzimidazole-5-carbonitrile
CID 104714192
3-(3,5-difluorophenyl)-2-sulfanylidene-1H-benzimidazole-5-carbonitrile
CID 104714240
2-sulfanylidene-3-(2,2,2-trifluoroethyl)-1H-benzimidazole-5-carbonitrile
CID 113444487
3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-sulfanylidene-1H-benzimidazole-5-carbonitrile
CID 106419408
3-[(1-methylcyclopentyl)methyl]-2-sulfanylidene-1H-benzimidazole-5-carbonitrile
CID 104714489
3-[2-(4-fluorophenyl)ethyl]-2-sulfanylidene-1H-benzimidazole-5-carbonitrile
CID 104714149

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-sulfanylidene-1H-benzimidazole-5-carbonitrile?
The IUPAC name of 3-(dimethylamino)-2-sulfanylidene-1H-benzimidazole-5-carbonitrile (CID 104714615) is 3-(dimethylamino)-2-sulfanylidene-1H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 3-(dimethylamino)-2-sulfanylidene-1H-benzimidazole-5-carbonitrile?
The canonical SMILES for 3-(dimethylamino)-2-sulfanylidene-1H-benzimidazole-5-carbonitrile is CN(C)n1c(=S)[nH]c2ccc(C#N)cc21.
What is the InChIKey of 3-(dimethylamino)-2-sulfanylidene-1H-benzimidazole-5-carbonitrile?
The InChIKey is UKOYSMDMORCMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4S/c1-13(2)14-9-5-7(6-11)3-4-8(9)12-10(14)15/h3-5H,1-2H3,(H,12,15).
What are the key properties of 3-(dimethylamino)-2-sulfanylidene-1H-benzimidazole-5-carbonitrile?
3-(dimethylamino)-2-sulfanylidene-1H-benzimidazole-5-carbonitrile has a molecular weight of 218.28 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-sulfanylidene-1H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 104714615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).