10-benzyl-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one

C21H21N5O — CID 71654566

IUPAC10-benzyl-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one
SMILESO=c1cc(N2CCNCC2)nc2n(Cc3ccccc3)c3ccccc3n12
InChIInChI=1S/C21H21N5O/c27-20-14-19(24-12-10-22-11-13-24)23-21-25(15-16-6-2-1-3-7-16)17-8-4-5-9-18(17)26(20)21/h1-9,14,22H,10-13,15H2
InChIKeyLESFLRQAWSSKNB-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.11
Rot. Bonds3

About 10-benzyl-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one

10-benzyl-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one (PubChem CID 71654566) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 10-benzyl-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one.

Molecular Properties

Compound Name10-benzyl-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one
PubChem CID71654566
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name10-benzyl-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one
SMILESO=c1cc(N2CCNCC2)nc2n(Cc3ccccc3)c3ccccc3n12
InChIInChI=1S/C21H21N5O/c27-20-14-19(24-12-10-22-11-13-24)23-21-25(15-16-6-2-1-3-7-16)17-8-4-5-9-18(17)26(20)21/h1-9,14,22H,10-13,15H2
InChIKeyLESFLRQAWSSKNB-UHFFFAOYSA-N
XLogP2.11
TPSA54.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Oxatomide
CID 4615
1,3-Dihydro-1-(1,2,3,6-tetrahydro-1-(phenylmethyl)-4-pyridinyl)-2H-benzimidazol-2-one
CID 96482
2H-Benzimidazol-2-one, 1,3-dihydro-1-(phenylmethyl)-4-(1-piperazinyl)-
CID 11587610
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
9-benzyl-3H-imidazo[1,2-a]benzimidazol-2(9H)-one
CID 752578
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
1-{2-[4-(diphenylmethyl)-1-piperazinyl]ethyl}-1,3-dihydro-2H-benzimidazol-2-one
CID 13105525

Frequently Asked Questions

What is the IUPAC name of 10-benzyl-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one?
The IUPAC name of 10-benzyl-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one (CID 71654566) is 10-benzyl-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one.
What is the SMILES notation for 10-benzyl-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one?
The canonical SMILES for 10-benzyl-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one is O=c1cc(N2CCNCC2)nc2n(Cc3ccccc3)c3ccccc3n12.
What is the InChIKey of 10-benzyl-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one?
The InChIKey is LESFLRQAWSSKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c27-20-14-19(24-12-10-22-11-13-24)23-21-25(15-16-6-2-1-3-7-16)17-8-4-5-9-18(17)26(20)21/h1-9,14,22H,10-13,15H2.
What are the key properties of 10-benzyl-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one?
10-benzyl-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one has a molecular weight of 359.43 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzyl-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one is sourced from PubChem (CID 71654566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).