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

C23H27N5 — CID 1111810

IUPAC3-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylimidazo[1,2-a]benzimidazole
SMILESCN1CCN(CCCn2c(-c3ccccc3)cn3c4ccccc4nc23)CC1
InChIInChI=1S/C23H27N5/c1-25-14-16-26(17-15-25)12-7-13-27-22(19-8-3-2-4-9-19)18-28-21-11-6-5-10-20(21)24-23(27)28/h2-6,8-11,18H,7,12-17H2,1H3
InChIKeyOSCRLMJATOEDCD-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.59
Rot. Bonds5

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

3-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylimidazo[1,2-a]benzimidazole (PubChem CID 1111810) has the molecular formula C23H27N5 and a molecular weight of 373.50 g/mol. Its IUPAC name is 3-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylimidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name3-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylimidazo[1,2-a]benzimidazole
PubChem CID1111810
Molecular FormulaC23H27N5
Molecular Weight373.50 g/mol
Exact Mass373.23
IUPAC Name3-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylimidazo[1,2-a]benzimidazole
SMILESCN1CCN(CCCn2c(-c3ccccc3)cn3c4ccccc4nc23)CC1
InChIInChI=1S/C23H27N5/c1-25-14-16-26(17-15-25)12-7-13-27-22(19-8-3-2-4-9-19)18-28-21-11-6-5-10-20(21)24-23(27)28/h2-6,8-11,18H,7,12-17H2,1H3
InChIKeyOSCRLMJATOEDCD-UHFFFAOYSA-N
XLogP3.59
TPSA28.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylimidazo[1,2-a]benzimidazole?
The IUPAC name of 3-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylimidazo[1,2-a]benzimidazole (CID 1111810) is 3-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylimidazo[1,2-a]benzimidazole.
What is the SMILES notation for 3-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylimidazo[1,2-a]benzimidazole?
The canonical SMILES for 3-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylimidazo[1,2-a]benzimidazole is CN1CCN(CCCn2c(-c3ccccc3)cn3c4ccccc4nc23)CC1.
What is the InChIKey of 3-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylimidazo[1,2-a]benzimidazole?
The InChIKey is OSCRLMJATOEDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5/c1-25-14-16-26(17-15-25)12-7-13-27-22(19-8-3-2-4-9-19)18-28-21-11-6-5-10-20(21)24-23(27)28/h2-6,8-11,18H,7,12-17H2,1H3.
What are the key properties of 3-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylimidazo[1,2-a]benzimidazole?
3-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylimidazo[1,2-a]benzimidazole has a molecular weight of 373.50 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylimidazo[1,2-a]benzimidazole is sourced from PubChem (CID 1111810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).