1-methyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]benzimidazole

C19H23N7 — CID 126893862

IUPAC1-methyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]benzimidazole
SMILESCn1c(N2CC(N3CCN(c4ncccn4)CC3)C2)nc2ccccc21
InChIInChI=1S/C19H23N7/c1-23-17-6-3-2-5-16(17)22-19(23)26-13-15(14-26)24-9-11-25(12-10-24)18-20-7-4-8-21-18/h2-8,15H,9-14H2,1H3
InChIKeyQXSUZAUGALXBGZ-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.37
Rot. Bonds3

About 1-methyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]benzimidazole

1-methyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]benzimidazole (PubChem CID 126893862) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-methyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]benzimidazole
PubChem CID126893862
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC Name1-methyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]benzimidazole
SMILESCn1c(N2CC(N3CCN(c4ncccn4)CC3)C2)nc2ccccc21
InChIInChI=1S/C19H23N7/c1-23-17-6-3-2-5-16(17)22-19(23)26-13-15(14-26)24-9-11-25(12-10-24)18-20-7-4-8-21-18/h2-8,15H,9-14H2,1H3
InChIKeyQXSUZAUGALXBGZ-UHFFFAOYSA-N
XLogP1.37
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]benzimidazole?
The IUPAC name of 1-methyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]benzimidazole (CID 126893862) is 1-methyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]benzimidazole?
The canonical SMILES for 1-methyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]benzimidazole is Cn1c(N2CC(N3CCN(c4ncccn4)CC3)C2)nc2ccccc21.
What is the InChIKey of 1-methyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]benzimidazole?
The InChIKey is QXSUZAUGALXBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7/c1-23-17-6-3-2-5-16(17)22-19(23)26-13-15(14-26)24-9-11-25(12-10-24)18-20-7-4-8-21-18/h2-8,15H,9-14H2,1H3.
What are the key properties of 1-methyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]benzimidazole?
1-methyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]benzimidazole has a molecular weight of 349.44 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]benzimidazole is sourced from PubChem (CID 126893862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).