7-(benzimidazol-1-ylmethyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C16H14N4OS — CID 71624972

IUPAC7-(benzimidazol-1-ylmethyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1sc2nc(Cn3cnc4ccccc43)cc(=O)n2c1C
InChIInChI=1S/C16H14N4OS/c1-10-11(2)22-16-18-12(7-15(21)20(10)16)8-19-9-17-13-5-3-4-6-14(13)19/h3-7,9H,8H2,1-2H3
InChIKeyDIFMWLRNQWEWOL-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.77
Rot. Bonds2

About 7-(benzimidazol-1-ylmethyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-(benzimidazol-1-ylmethyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 71624972) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 7-(benzimidazol-1-ylmethyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(benzimidazol-1-ylmethyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID71624972
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name7-(benzimidazol-1-ylmethyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1sc2nc(Cn3cnc4ccccc43)cc(=O)n2c1C
InChIInChI=1S/C16H14N4OS/c1-10-11(2)22-16-18-12(7-15(21)20(10)16)8-19-9-17-13-5-3-4-6-14(13)19/h3-7,9H,8H2,1-2H3
InChIKeyDIFMWLRNQWEWOL-UHFFFAOYSA-N
XLogP2.77
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(benzimidazol-1-ylmethyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(benzimidazol-1-ylmethyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 71624972) is 7-(benzimidazol-1-ylmethyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(benzimidazol-1-ylmethyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(benzimidazol-1-ylmethyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1sc2nc(Cn3cnc4ccccc43)cc(=O)n2c1C.
What is the InChIKey of 7-(benzimidazol-1-ylmethyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is DIFMWLRNQWEWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c1-10-11(2)22-16-18-12(7-15(21)20(10)16)8-19-9-17-13-5-3-4-6-14(13)19/h3-7,9H,8H2,1-2H3.
What are the key properties of 7-(benzimidazol-1-ylmethyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(benzimidazol-1-ylmethyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 310.38 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzimidazol-1-ylmethyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 71624972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).