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

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

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Related Compounds

6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122047626
2-(1,4-diazepan-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 82276271
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
3-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51246913
3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 139765668
3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one
CID 70115038
3-(4-aminocyclohexyl)-1H-benzimidazol-2-one
CID 23092402
4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cyclohexane-1-carbaldehyde
CID 21471554
3-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 10309214
2-(4-benzoylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 175650790
3-[1-[5-(4-chlorophenyl)pyrimidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735766
9-methyl-6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]purine-8-carboxylic acid
CID 66799955

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).