N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide

C13H11N5O2S — CID 24981851

IUPACN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H11N5O2S/c19-11(7-21-13-14-4-1-5-15-13)16-8-2-3-9-10(6-8)18-12(20)17-9/h1-6H,7H2,(H,16,19)(H2,17,18,20)
InChIKeyNFOXIGSLXHQSMJ-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.38
Rot. Bonds4

About N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide

N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 24981851) has the molecular formula C13H11N5O2S and a molecular weight of 301.33 g/mol. Its IUPAC name is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID24981851
Molecular FormulaC13H11N5O2S
Molecular Weight301.33 g/mol
Exact Mass301.06
IUPAC NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H11N5O2S/c19-11(7-21-13-14-4-1-5-15-13)16-8-2-3-9-10(6-8)18-12(20)17-9/h1-6H,7H2,(H,16,19)(H2,17,18,20)
InChIKeyNFOXIGSLXHQSMJ-UHFFFAOYSA-N
XLogP1.38
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide (CID 24981851) is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide is O=C(CSc1ncccn1)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is NFOXIGSLXHQSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2S/c19-11(7-21-13-14-4-1-5-15-13)16-8-2-3-9-10(6-8)18-12(20)17-9/h1-6H,7H2,(H,16,19)(H2,17,18,20).
What are the key properties of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 301.33 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 24981851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).