10-(1-phenylethyl)-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one

C22H23N5O — CID 71652243

IUPAC10-(1-phenylethyl)-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one
SMILESCC(c1ccccc1)n1c2ccccc2n2c(=O)cc(N3CCNCC3)nc12
InChIInChI=1S/C22H23N5O/c1-16(17-7-3-2-4-8-17)26-18-9-5-6-10-19(18)27-21(28)15-20(24-22(26)27)25-13-11-23-12-14-25/h2-10,15-16,23H,11-14H2,1H3
InChIKeyXOILFTDAJVOQGJ-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.67
Rot. Bonds3

About 10-(1-phenylethyl)-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one

10-(1-phenylethyl)-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one (PubChem CID 71652243) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 10-(1-phenylethyl)-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one.

Molecular Properties

Compound Name10-(1-phenylethyl)-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one
PubChem CID71652243
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name10-(1-phenylethyl)-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one
SMILESCC(c1ccccc1)n1c2ccccc2n2c(=O)cc(N3CCNCC3)nc12
InChIInChI=1S/C22H23N5O/c1-16(17-7-3-2-4-8-17)26-18-9-5-6-10-19(18)27-21(28)15-20(24-22(26)27)25-13-11-23-12-14-25/h2-10,15-16,23H,11-14H2,1H3
InChIKeyXOILFTDAJVOQGJ-UHFFFAOYSA-N
XLogP2.67
TPSA54.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Oxatomide
CID 4615
1-(1-{[4-(6-methyl-5-oxo-3-phenyl-4,5-dihydropyrazin-2-yl)phenyl]methyl}piperidin-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 10289038
Tbpb
CID 10092649
1-(1-{[4-(5-methyl-6-oxo-3-phenyl-1,6-dihydropyrazin-2-yl)phenyl]methyl}piperidin-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 10217663
Orphine
CID 21262767
1-(1-{[4-(5-oxo-3-phenyl-4,5-dihydropyrazin-2-yl)phenyl]methyl}piperidin-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 10152003
1-(1-{[4-(6-oxo-3-phenyl-1,6-dihydropyrazin-2-yl)phenyl]methyl}piperidin-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 10174144
N-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-iminobenzimidazol-1-yl]acetamide
CID 53376045
Fluorphine
CID 145964378
1,3-Dihydro-1-[1-(phenylmethyl)-4-piperidinyl]-2H-benzimidazol-2-one
CID 416359
3-[4-(4-benzhydrylpiperazin-1-yl)butyl]-1H-benzimidazol-2-one
CID 10026271
3-[5-(4-benzhydrylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one
CID 10027000

Frequently Asked Questions

What is the IUPAC name of 10-(1-phenylethyl)-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one?
The IUPAC name of 10-(1-phenylethyl)-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one (CID 71652243) is 10-(1-phenylethyl)-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one.
What is the SMILES notation for 10-(1-phenylethyl)-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one?
The canonical SMILES for 10-(1-phenylethyl)-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one is CC(c1ccccc1)n1c2ccccc2n2c(=O)cc(N3CCNCC3)nc12.
What is the InChIKey of 10-(1-phenylethyl)-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one?
The InChIKey is XOILFTDAJVOQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-16(17-7-3-2-4-8-17)26-18-9-5-6-10-19(18)27-21(28)15-20(24-22(26)27)25-13-11-23-12-14-25/h2-10,15-16,23H,11-14H2,1H3.
What are the key properties of 10-(1-phenylethyl)-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one?
10-(1-phenylethyl)-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one has a molecular weight of 373.46 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1-phenylethyl)-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one is sourced from PubChem (CID 71652243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).