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

C19H23N7 — CID 126893848

IUPAC2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole
SMILESc1cnc(N2CCN(C3CN(Cc4nc5ccccc5[nH]4)C3)CC2)nc1
InChIInChI=1S/C19H23N7/c1-2-5-17-16(4-1)22-18(23-17)14-24-12-15(13-24)25-8-10-26(11-9-25)19-20-6-3-7-21-19/h1-7,15H,8-14H2,(H,22,23)
InChIKeyGVJYLYKJGRVAPH-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.36
Rot. Bonds4

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

2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole (PubChem CID 126893848) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole
PubChem CID126893848
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC Name2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole
SMILESc1cnc(N2CCN(C3CN(Cc4nc5ccccc5[nH]4)C3)CC2)nc1
InChIInChI=1S/C19H23N7/c1-2-5-17-16(4-1)22-18(23-17)14-24-12-15(13-24)25-8-10-26(11-9-25)19-20-6-3-7-21-19/h1-7,15H,8-14H2,(H,22,23)
InChIKeyGVJYLYKJGRVAPH-UHFFFAOYSA-N
XLogP1.36
TPSA64.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole
CID 126891986
2-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole
CID 126892606
2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]-1H-benzimidazole
CID 126893831
2-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 75438688
2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 11289781
2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 46981222
4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole
CID 126893977
2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303
2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidine
CID 126893944
2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]-1H-benzimidazole
CID 11300847
4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]benzonitrile
CID 126893849
(Z)-but-2-enedioic acid;2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole
CID 69199029

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole?
The IUPAC name of 2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole (CID 126893848) is 2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole?
The canonical SMILES for 2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole is c1cnc(N2CCN(C3CN(Cc4nc5ccccc5[nH]4)C3)CC2)nc1.
What is the InChIKey of 2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole?
The InChIKey is GVJYLYKJGRVAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7/c1-2-5-17-16(4-1)22-18(23-17)14-24-12-15(13-24)25-8-10-26(11-9-25)19-20-6-3-7-21-19/h1-7,15H,8-14H2,(H,22,23).
What are the key properties of 2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole?
2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole has a molecular weight of 349.44 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole is sourced from PubChem (CID 126893848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).