2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one

C20H19N5O2 — CID 55476310

IUPAC2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(c2cc(=O)n3ccccc3n2)CC1
InChIInChI=1S/C20H19N5O2/c26-19-13-18(22-17-7-3-4-10-24(17)19)23-11-8-14(9-12-23)25-16-6-2-1-5-15(16)21-20(25)27/h1-7,10,13-14H,8-9,11-12H2,(H,21,27)
InChIKeyIXYJBFAMJQUEMM-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.18
Rot. Bonds2

About 2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one

2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 55476310) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID55476310
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(c2cc(=O)n3ccccc3n2)CC1
InChIInChI=1S/C20H19N5O2/c26-19-13-18(22-17-7-3-4-10-24(17)19)23-11-8-14(9-12-23)25-16-6-2-1-5-15(16)21-20(25)27/h1-7,10,13-14H,8-9,11-12H2,(H,21,27)
InChIKeyIXYJBFAMJQUEMM-UHFFFAOYSA-N
XLogP2.18
TPSA75.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one (CID 55476310) is 2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one is O=c1[nH]c2ccccc2n1C1CCN(c2cc(=O)n3ccccc3n2)CC1.
What is the InChIKey of 2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IXYJBFAMJQUEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c26-19-13-18(22-17-7-3-4-10-24(17)19)23-11-8-14(9-12-23)25-16-6-2-1-5-15(16)21-20(25)27/h1-7,10,13-14H,8-9,11-12H2,(H,21,27).
What are the key properties of 2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 361.41 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 55476310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).