3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)benzamide

C10H9N3OS — CID 90040176

IUPAC3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)benzamide
SMILESNC(=O)c1cccc(-c2c[nH]c(=S)[nH]2)c1
InChIInChI=1S/C10H9N3OS/c11-9(14)7-3-1-2-6(4-7)8-5-12-10(15)13-8/h1-5H,(H2,11,14)(H2,12,13,15)
InChIKeyRXIIPFCZABTRGX-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.84
Rot. Bonds2

About 3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)benzamide

3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)benzamide (PubChem CID 90040176) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)benzamide.

Molecular Properties

Compound Name3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)benzamide
PubChem CID90040176
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)benzamide
SMILESNC(=O)c1cccc(-c2c[nH]c(=S)[nH]2)c1
InChIInChI=1S/C10H9N3OS/c11-9(14)7-3-1-2-6(4-7)8-5-12-10(15)13-8/h1-5H,(H2,11,14)(H2,12,13,15)
InChIKeyRXIIPFCZABTRGX-UHFFFAOYSA-N
XLogP1.84
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-sulfanylidene-3H-1,3-thiazol-4-yl)benzamide
CID 18923065
1H-cyclopenta[b]pyridine-3-carboxamide
CID 91524853
3-(2-oxo-1H-pyridin-4-yl)benzamide
CID 53217730
3-phenylbenzamide;phosphoric acid
CID 130454344
4-[3-(oxan-4-yl)phenyl]-1,3-dihydroimidazole-2-thione
CID 25124942
3-pyrimidin-4-ylbenzamide
CID 67036490
4-(3-carbamoylphenyl)benzoate
CID 86307207
3-(5-chloro-2-pyridinyl)benzamide
CID 91358917
3-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]benzamide
CID 173127804
3-carbamoylbenzoic acid
CID 3014284
3-(dihydroxymethyl)benzamide
CID 174476205
3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 174723007

Frequently Asked Questions

What is the IUPAC name of 3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)benzamide?
The IUPAC name of 3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)benzamide (CID 90040176) is 3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)benzamide.
What is the SMILES notation for 3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)benzamide?
The canonical SMILES for 3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)benzamide is NC(=O)c1cccc(-c2c[nH]c(=S)[nH]2)c1.
What is the InChIKey of 3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)benzamide?
The InChIKey is RXIIPFCZABTRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c11-9(14)7-3-1-2-6(4-7)8-5-12-10(15)13-8/h1-5H,(H2,11,14)(H2,12,13,15).
What are the key properties of 3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)benzamide?
3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)benzamide has a molecular weight of 219.27 g/mol, XLogP of 1.84, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)benzamide is sourced from PubChem (CID 90040176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).