N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

C16H17N5O2S — CID 2126203

IUPACN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nc(C)c1C
InChIInChI=1S/C16H17N5O2S/c1-8-9(2)17-16(18-10(8)3)24-7-14(22)19-11-4-5-12-13(6-11)21-15(23)20-12/h4-6H,7H2,1-3H3,(H,19,22)(H2,20,21,23)
InChIKeySGTQDCMEQARBQM-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.30
Rot. Bonds4

About N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 2126203) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID2126203
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nc(C)c1C
InChIInChI=1S/C16H17N5O2S/c1-8-9(2)17-16(18-10(8)3)24-7-14(22)19-11-4-5-12-13(6-11)21-15(23)20-12/h4-6H,7H2,1-3H3,(H,19,22)(H2,20,21,23)
InChIKeySGTQDCMEQARBQM-UHFFFAOYSA-N
XLogP2.30
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (CID 2126203) is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is Cc1nc(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nc(C)c1C.
What is the InChIKey of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is SGTQDCMEQARBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-8-9(2)17-16(18-10(8)3)24-7-14(22)19-11-4-5-12-13(6-11)21-15(23)20-12/h4-6H,7H2,1-3H3,(H,19,22)(H2,20,21,23).
What are the key properties of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 343.41 g/mol, XLogP of 2.30, 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-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2126203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).