3-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylimidazo[1,2-a]benzimidazole

C22H25N5 — CID 2868649

IUPAC3-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylimidazo[1,2-a]benzimidazole
SMILESCN1CCN(CCn2c(-c3ccccc3)cn3c4ccccc4nc23)CC1
InChIInChI=1S/C22H25N5/c1-24-11-13-25(14-12-24)15-16-26-21(18-7-3-2-4-8-18)17-27-20-10-6-5-9-19(20)23-22(26)27/h2-10,17H,11-16H2,1H3
InChIKeyPAGOAMDCIBIXCH-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.20
Rot. Bonds4

About 3-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylimidazo[1,2-a]benzimidazole

3-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylimidazo[1,2-a]benzimidazole (PubChem CID 2868649) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is 3-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylimidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name3-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylimidazo[1,2-a]benzimidazole
PubChem CID2868649
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC Name3-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylimidazo[1,2-a]benzimidazole
SMILESCN1CCN(CCn2c(-c3ccccc3)cn3c4ccccc4nc23)CC1
InChIInChI=1S/C22H25N5/c1-24-11-13-25(14-12-24)15-16-26-21(18-7-3-2-4-8-18)17-27-20-10-6-5-9-19(20)23-22(26)27/h2-10,17H,11-16H2,1H3
InChIKeyPAGOAMDCIBIXCH-UHFFFAOYSA-N
XLogP3.20
TPSA28.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylimidazo[1,2-a]benzimidazole?
The IUPAC name of 3-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylimidazo[1,2-a]benzimidazole (CID 2868649) is 3-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylimidazo[1,2-a]benzimidazole.
What is the SMILES notation for 3-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylimidazo[1,2-a]benzimidazole?
The canonical SMILES for 3-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylimidazo[1,2-a]benzimidazole is CN1CCN(CCn2c(-c3ccccc3)cn3c4ccccc4nc23)CC1.
What is the InChIKey of 3-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylimidazo[1,2-a]benzimidazole?
The InChIKey is PAGOAMDCIBIXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5/c1-24-11-13-25(14-12-24)15-16-26-21(18-7-3-2-4-8-18)17-27-20-10-6-5-9-19(20)23-22(26)27/h2-10,17H,11-16H2,1H3.
What are the key properties of 3-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylimidazo[1,2-a]benzimidazole?
3-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylimidazo[1,2-a]benzimidazole has a molecular weight of 359.48 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylimidazo[1,2-a]benzimidazole is sourced from PubChem (CID 2868649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).