1-[2-(4-methylpiperazin-1-yl)ethyl]-3,9b-dihydro-2H-imidazo[1,2-b]isoindol-5-one

C17H24N4O — CID 21398417

IUPAC1-[2-(4-methylpiperazin-1-yl)ethyl]-3,9b-dihydro-2H-imidazo[1,2-b]isoindol-5-one
SMILESCN1CCN(CCN2CCN3C(=O)c4ccccc4C23)CC1
InChIInChI=1S/C17H24N4O/c1-18-6-8-19(9-7-18)10-11-20-12-13-21-16(20)14-4-2-3-5-15(14)17(21)22/h2-5,16H,6-13H2,1H3
InChIKeyORBVWGGWMZQYET-UHFFFAOYSA-N
MW300.41 g/mol
LogP0.70
Rot. Bonds3

About 1-[2-(4-methylpiperazin-1-yl)ethyl]-3,9b-dihydro-2H-imidazo[1,2-b]isoindol-5-one

1-[2-(4-methylpiperazin-1-yl)ethyl]-3,9b-dihydro-2H-imidazo[1,2-b]isoindol-5-one (PubChem CID 21398417) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)ethyl]-3,9b-dihydro-2H-imidazo[1,2-b]isoindol-5-one.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)ethyl]-3,9b-dihydro-2H-imidazo[1,2-b]isoindol-5-one
PubChem CID21398417
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-[2-(4-methylpiperazin-1-yl)ethyl]-3,9b-dihydro-2H-imidazo[1,2-b]isoindol-5-one
SMILESCN1CCN(CCN2CCN3C(=O)c4ccccc4C23)CC1
InChIInChI=1S/C17H24N4O/c1-18-6-8-19(9-7-18)10-11-20-12-13-21-16(20)14-4-2-3-5-15(14)17(21)22/h2-5,16H,6-13H2,1H3
InChIKeyORBVWGGWMZQYET-UHFFFAOYSA-N
XLogP0.70
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)ethyl]-3,9b-dihydro-2H-imidazo[1,2-b]isoindol-5-one?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)ethyl]-3,9b-dihydro-2H-imidazo[1,2-b]isoindol-5-one (CID 21398417) is 1-[2-(4-methylpiperazin-1-yl)ethyl]-3,9b-dihydro-2H-imidazo[1,2-b]isoindol-5-one.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)ethyl]-3,9b-dihydro-2H-imidazo[1,2-b]isoindol-5-one?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)ethyl]-3,9b-dihydro-2H-imidazo[1,2-b]isoindol-5-one is CN1CCN(CCN2CCN3C(=O)c4ccccc4C23)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)ethyl]-3,9b-dihydro-2H-imidazo[1,2-b]isoindol-5-one?
The InChIKey is ORBVWGGWMZQYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-18-6-8-19(9-7-18)10-11-20-12-13-21-16(20)14-4-2-3-5-15(14)17(21)22/h2-5,16H,6-13H2,1H3.
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)ethyl]-3,9b-dihydro-2H-imidazo[1,2-b]isoindol-5-one?
1-[2-(4-methylpiperazin-1-yl)ethyl]-3,9b-dihydro-2H-imidazo[1,2-b]isoindol-5-one has a molecular weight of 300.41 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)ethyl]-3,9b-dihydro-2H-imidazo[1,2-b]isoindol-5-one is sourced from PubChem (CID 21398417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).