2-(benzimidazol-1-ylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one

C17H14N4O — CID 71624854

IUPAC2-(benzimidazol-1-ylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(Cn3cnc4ccccc43)cc(=O)n12
InChIInChI=1S/C17H14N4O/c1-12-5-4-8-16-19-13(9-17(22)21(12)16)10-20-11-18-14-6-2-3-7-15(14)20/h2-9,11H,10H2,1H3
InChIKeyICTBPKWPCGSFPZ-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.40
Rot. Bonds2

About 2-(benzimidazol-1-ylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one

2-(benzimidazol-1-ylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 71624854) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-(benzimidazol-1-ylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(benzimidazol-1-ylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID71624854
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name2-(benzimidazol-1-ylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(Cn3cnc4ccccc43)cc(=O)n12
InChIInChI=1S/C17H14N4O/c1-12-5-4-8-16-19-13(9-17(22)21(12)16)10-20-11-18-14-6-2-3-7-15(14)20/h2-9,11H,10H2,1H3
InChIKeyICTBPKWPCGSFPZ-UHFFFAOYSA-N
XLogP2.40
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-ylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(benzimidazol-1-ylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 71624854) is 2-(benzimidazol-1-ylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(benzimidazol-1-ylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(benzimidazol-1-ylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccc2nc(Cn3cnc4ccccc43)cc(=O)n12.
What is the InChIKey of 2-(benzimidazol-1-ylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ICTBPKWPCGSFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-12-5-4-8-16-19-13(9-17(22)21(12)16)10-20-11-18-14-6-2-3-7-15(14)20/h2-9,11H,10H2,1H3.
What are the key properties of 2-(benzimidazol-1-ylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one?
2-(benzimidazol-1-ylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 290.33 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-ylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 71624854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).