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

C18H24N6O — CID 71652401

IUPAC10-[2-(dimethylamino)ethyl]-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one
SMILESCN(C)CCn1c2ccccc2n2c(=O)cc(N3CCNCC3)nc12
InChIInChI=1S/C18H24N6O/c1-21(2)11-12-23-14-5-3-4-6-15(14)24-17(25)13-16(20-18(23)24)22-9-7-19-8-10-22/h3-6,13,19H,7-12H2,1-2H3
InChIKeyVIHVQYHIEORKKX-UHFFFAOYSA-N
MW340.43 g/mol
LogP0.62
Rot. Bonds4

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

10-[2-(dimethylamino)ethyl]-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one (PubChem CID 71652401) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 10-[2-(dimethylamino)ethyl]-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one.

Molecular Properties

Compound Name10-[2-(dimethylamino)ethyl]-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one
PubChem CID71652401
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name10-[2-(dimethylamino)ethyl]-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one
SMILESCN(C)CCn1c2ccccc2n2c(=O)cc(N3CCNCC3)nc12
InChIInChI=1S/C18H24N6O/c1-21(2)11-12-23-14-5-3-4-6-15(14)24-17(25)13-16(20-18(23)24)22-9-7-19-8-10-22/h3-6,13,19H,7-12H2,1-2H3
InChIKeyVIHVQYHIEORKKX-UHFFFAOYSA-N
XLogP0.62
TPSA57.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 10-[2-(dimethylamino)ethyl]-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one?
The IUPAC name of 10-[2-(dimethylamino)ethyl]-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one (CID 71652401) is 10-[2-(dimethylamino)ethyl]-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one.
What is the SMILES notation for 10-[2-(dimethylamino)ethyl]-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one?
The canonical SMILES for 10-[2-(dimethylamino)ethyl]-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one is CN(C)CCn1c2ccccc2n2c(=O)cc(N3CCNCC3)nc12.
What is the InChIKey of 10-[2-(dimethylamino)ethyl]-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one?
The InChIKey is VIHVQYHIEORKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-21(2)11-12-23-14-5-3-4-6-15(14)24-17(25)13-16(20-18(23)24)22-9-7-19-8-10-22/h3-6,13,19H,7-12H2,1-2H3.
What are the key properties of 10-[2-(dimethylamino)ethyl]-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one?
10-[2-(dimethylamino)ethyl]-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one has a molecular weight of 340.43 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(dimethylamino)ethyl]-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one is sourced from PubChem (CID 71652401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).