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

C17H25N5 — CID 126891986

IUPAC2-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole
SMILESCCN1CCN(C2CN(Cc3nc4ccccc4[nH]3)C2)CC1
InChIInChI=1S/C17H25N5/c1-2-20-7-9-22(10-8-20)14-11-21(12-14)13-17-18-15-5-3-4-6-16(15)19-17/h3-6,14H,2,7-13H2,1H3,(H,18,19)
InChIKeyAKJLMZZVZSNKGD-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.38
Rot. Bonds4

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

2-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole (PubChem CID 126891986) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole
PubChem CID126891986
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name2-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole
SMILESCCN1CCN(C2CN(Cc3nc4ccccc4[nH]3)C2)CC1
InChIInChI=1S/C17H25N5/c1-2-20-7-9-22(10-8-20)14-11-21(12-14)13-17-18-15-5-3-4-6-16(15)19-17/h3-6,14H,2,7-13H2,1H3,(H,18,19)
InChIKeyAKJLMZZVZSNKGD-UHFFFAOYSA-N
XLogP1.38
TPSA38.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole
CID 126892606
2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1H-benzimidazole
CID 142265346
2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole
CID 126893848
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1H-benzimidazole
CID 115314474
(1S,5R)-3-(1H-benzimidazol-2-ylmethyl)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 135092248
2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303
1-(1H-benzimidazol-2-ylmethyl)-4-methylpiperidin-3-ol
CID 104926835
2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 46981222
2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 11289781
2-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1H-benzimidazole
CID 51697276
1-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethanone;oxalic acid
CID 121074357
[4-(1H-benzimidazol-2-ylmethyl)-6-methylmorpholin-2-yl]methanol
CID 102935708

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole?
The IUPAC name of 2-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole (CID 126891986) is 2-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole?
The canonical SMILES for 2-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole is CCN1CCN(C2CN(Cc3nc4ccccc4[nH]3)C2)CC1.
What is the InChIKey of 2-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole?
The InChIKey is AKJLMZZVZSNKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-2-20-7-9-22(10-8-20)14-11-21(12-14)13-17-18-15-5-3-4-6-16(15)19-17/h3-6,14H,2,7-13H2,1H3,(H,18,19).
What are the key properties of 2-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole?
2-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole has a molecular weight of 299.42 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole is sourced from PubChem (CID 126891986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).