1-[3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]phenyl]benzimidazole

Name: 1-[3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]phenyl]benzimidazole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₂H₂₂N₆ — CID 141181880

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-[3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]phenyl]benzimidazole

SMILESCN1CCN(c2ncc(-c3cccc(-n4cnc5ccccc54)c3)cn2)CC1

InChIInChI=1S/C22H22N6/c1-26-9-11-27(12-10-26)22-23-14-18(15-24-22)17-5-4-6-19(13-17)28-16-25-20-7-2-3-8-21(20)28/h2-8,13-16H,9-12H2,1H3

InChIKeyWFYSRZAJLDSEGC-UHFFFAOYSA-N

MW370.46 g/mol

LogP3.23

Rot. Bonds3

About 1-[3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]phenyl]benzimidazole

1-[3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]phenyl]benzimidazole (PubChem CID 141181880) has the molecular formula C₂₂H₂₂N₆ and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-[3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]phenyl]benzimidazole.

Molecular Properties

Compound Name	1-[3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]phenyl]benzimidazole
PubChem CID	141181880
Molecular Formula	C₂₂H₂₂N₆
Molecular Weight	370.46 g/mol
Exact Mass	370.19
IUPAC Name	1-[3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]phenyl]benzimidazole
SMILES	CN1CCN(c2ncc(-c3cccc(-n4cnc5ccccc54)c3)cn2)CC1
InChI	InChI=1S/C22H22N6/c1-26-9-11-27(12-10-26)22-23-14-18(15-24-22)17-5-4-6-19(13-17)28-16-25-20-7-2-3-8-21(20)28/h2-8,13-16H,9-12H2,1H3
InChIKey	WFYSRZAJLDSEGC-UHFFFAOYSA-N
XLogP	3.23
TPSA	50.08 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	3
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.46
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]phenyl]benzimidazole?

The IUPAC name of 1-[3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]phenyl]benzimidazole (CID 141181880) is 1-[3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]phenyl]benzimidazole.

What is the SMILES notation for 1-[3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]phenyl]benzimidazole?

The canonical SMILES for 1-[3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]phenyl]benzimidazole is CN1CCN(c2ncc(-c3cccc(-n4cnc5ccccc54)c3)cn2)CC1.

What is the InChIKey of 1-[3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]phenyl]benzimidazole?

The InChIKey is WFYSRZAJLDSEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6/c1-26-9-11-27(12-10-26)22-23-14-18(15-24-22)17-5-4-6-19(13-17)28-16-25-20-7-2-3-8-21(20)28/h2-8,13-16H,9-12H2,1H3.

What are the key properties of 1-[3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]phenyl]benzimidazole?

1-[3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]phenyl]benzimidazole has a molecular weight of 370.46 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]phenyl]benzimidazole is sourced from PubChem (CID 141181880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 141181880 — identifiers, structure, computed properties (public domain)

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