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

C22H22N6 — CID 141181880

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 Name1-[3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]phenyl]benzimidazole
PubChem CID141181880
Molecular FormulaC22H22N6
Molecular Weight370.46 g/mol
Exact Mass370.19
IUPAC Name1-[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
XLogP3.23
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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).