1OX

2-(1H-benzimidazol-1-ylmethyl)-4H-pyrido[1,2-a]pyrimidin-4-one

Created:2013-04-16
Last modified:  2013-05-22

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Chemical Details

Formal Charge0
Atom Count33
Chiral Atom Count0
Bond Count36
Aromatic Bond Count10
2D diagram of 1OX

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Chemical Component Summary

Name2-(1H-benzimidazol-1-ylmethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Systematic Name (OpenEye OEToolkits)2-(benzimidazol-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
FormulaC16 H12 N4 O
Molecular Weight276.293
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C2C=C(N=C1C=CC=CN12)Cn3c4ccccc4nc3
SMILESCACTVS3.370O=C1C=C(Cn2cnc3ccccc23)N=C4C=CC=CN14
SMILESOpenEye OEToolkits1.7.6c1ccc2c(c1)ncn2CC3=CC(=O)N4C=CC=CC4=N3
Canonical SMILESCACTVS3.370 O=C1C=C(Cn2cnc3ccccc23)N=C4C=CC=CN14
Canonical SMILESOpenEye OEToolkits1.7.6 c1ccc2c(c1)ncn2CC3=CC(=O)N4C=CC=CC4=N3
InChIInChI1.03 InChI=1S/C16H12N4O/c21-16-9-12(18-15-7-3-4-8-20(15)16)10-19-11-17-13-5-1-2-6-14(13)19/h1-9,11H,10H2
InChIKeyInChI1.03 BCWFSHAZZLFCIE-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 73350476
ChEMBL CHEMBL2386916