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

C16H12N4O — CID 73350476

IUPAC2-(benzimidazol-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(Cn2cnc3ccccc32)nc2ccccn12
InChIInChI=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
InChIKeyBCWFSHAZZLFCIE-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.09
Rot. Bonds2

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

2-(benzimidazol-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 73350476) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-(benzimidazol-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(benzimidazol-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID73350476
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name2-(benzimidazol-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(Cn2cnc3ccccc32)nc2ccccn12
InChIInChI=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
InChIKeyBCWFSHAZZLFCIE-UHFFFAOYSA-N
XLogP2.09
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.09
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)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(benzimidazol-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (CID 73350476) is 2-(benzimidazol-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(benzimidazol-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(benzimidazol-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(Cn2cnc3ccccc32)nc2ccccn12.
What is the InChIKey of 2-(benzimidazol-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BCWFSHAZZLFCIE-UHFFFAOYSA-N. The full InChI is 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.
What are the key properties of 2-(benzimidazol-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
2-(benzimidazol-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 276.30 g/mol, XLogP of 2.09, 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)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 73350476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).