5-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-1,3-dihydrobenzimidazol-2-one

C10H8N4OS — CID 116879606

IUPAC5-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3c[nH]c(=S)[nH]3)cc2[nH]1
InChIInChI=1S/C10H8N4OS/c15-9-12-6-2-1-5(3-7(6)13-9)8-4-11-10(16)14-8/h1-4H,(H2,11,14,16)(H2,12,13,15)
InChIKeyQOBPGRQQTSIRNW-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.91
Rot. Bonds1

About 5-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-1,3-dihydrobenzimidazol-2-one

5-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 116879606) has the molecular formula C10H8N4OS and a molecular weight of 232.27 g/mol. Its IUPAC name is 5-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-1,3-dihydrobenzimidazol-2-one
PubChem CID116879606
Molecular FormulaC10H8N4OS
Molecular Weight232.27 g/mol
Exact Mass232.04
IUPAC Name5-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3c[nH]c(=S)[nH]3)cc2[nH]1
InChIInChI=1S/C10H8N4OS/c15-9-12-6-2-1-5(3-7(6)13-9)8-4-11-10(16)14-8/h1-4H,(H2,11,14,16)(H2,12,13,15)
InChIKeyQOBPGRQQTSIRNW-UHFFFAOYSA-N
XLogP1.91
TPSA80.23 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2-chloro-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one
CID 116968122
4-(2-methyl-1,3-benzoxazol-5-yl)-1,3-dihydroimidazole-2-thione
CID 116879611
5-[2-(2-hydroxypropan-2-yl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one
CID 116881411
5-[2-(2-sulfanylethyl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one
CID 116879340
5-(5-chloro-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one
CID 116822901
5-[5-hydroxy-4-[2-hydroxy-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-pyrrol-3-yl]-1H-pyrrol-2-yl]benzimidazol-2-one
CID 148576221
5-[2-(3-hydroxypropyl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one
CID 116878465
ethane;5-(5-methylfuran-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 144951341
5-(2-methoxypyrimidin-4-yl)-1,3-dihydrobenzimidazol-2-one
CID 116903807
5-(5-chloro-3-methyl-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one
CID 116823361
5-[2-(aminomethyl)-6-methylpyrimidin-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 116892348
ethane;5-methyl-1,3-dihydrobenzimidazol-2-one
CID 90978639

Frequently Asked Questions

What is the IUPAC name of 5-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-1,3-dihydrobenzimidazol-2-one (CID 116879606) is 5-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(-c3c[nH]c(=S)[nH]3)cc2[nH]1.
What is the InChIKey of 5-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is QOBPGRQQTSIRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4OS/c15-9-12-6-2-1-5(3-7(6)13-9)8-4-11-10(16)14-8/h1-4H,(H2,11,14,16)(H2,12,13,15).
What are the key properties of 5-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-1,3-dihydrobenzimidazol-2-one?
5-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 232.27 g/mol, XLogP of 1.91, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 116879606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).