4-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylthieno[2,3-d]pyrimidine

C16H14N4OS2 — CID 9110961

IUPAC4-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylthieno[2,3-d]pyrimidine
SMILESCOCCn1c(Sc2ncnc3sccc23)nc2ccccc21
InChIInChI=1S/C16H14N4OS2/c1-21-8-7-20-13-5-3-2-4-12(13)19-16(20)23-15-11-6-9-22-14(11)17-10-18-15/h2-6,9-10H,7-8H2,1H3
InChIKeyXDSHMEYBXSZECN-UHFFFAOYSA-N
MW342.45 g/mol
LogP3.84
Rot. Bonds5

About 4-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylthieno[2,3-d]pyrimidine

4-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylthieno[2,3-d]pyrimidine (PubChem CID 9110961) has the molecular formula C16H14N4OS2 and a molecular weight of 342.45 g/mol. Its IUPAC name is 4-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylthieno[2,3-d]pyrimidine
PubChem CID9110961
Molecular FormulaC16H14N4OS2
Molecular Weight342.45 g/mol
Exact Mass342.06
IUPAC Name4-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylthieno[2,3-d]pyrimidine
SMILESCOCCn1c(Sc2ncnc3sccc23)nc2ccccc21
InChIInChI=1S/C16H14N4OS2/c1-21-8-7-20-13-5-3-2-4-12(13)19-16(20)23-15-11-6-9-22-14(11)17-10-18-15/h2-6,9-10H,7-8H2,1H3
InChIKeyXDSHMEYBXSZECN-UHFFFAOYSA-N
XLogP3.84
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylthieno[2,3-d]pyrimidine (CID 9110961) is 4-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylthieno[2,3-d]pyrimidine is COCCn1c(Sc2ncnc3sccc23)nc2ccccc21.
What is the InChIKey of 4-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylthieno[2,3-d]pyrimidine?
The InChIKey is XDSHMEYBXSZECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS2/c1-21-8-7-20-13-5-3-2-4-12(13)19-16(20)23-15-11-6-9-22-14(11)17-10-18-15/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 4-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylthieno[2,3-d]pyrimidine?
4-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylthieno[2,3-d]pyrimidine has a molecular weight of 342.45 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 9110961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).