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

C17H19N5 — CID 11300847

IUPAC2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]-1H-benzimidazole
SMILESc1cncc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)c1
InChIInChI=1S/C17H19N5/c1-2-6-16-15(5-1)19-17(20-16)13-21-8-10-22(11-9-21)14-4-3-7-18-12-14/h1-7,12H,8-11,13H2,(H,19,20)
InChIKeyZQTBZBWXRRYDBT-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.28
Rot. Bonds3

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

2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]-1H-benzimidazole (PubChem CID 11300847) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]-1H-benzimidazole
PubChem CID11300847
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]-1H-benzimidazole
SMILESc1cncc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)c1
InChIInChI=1S/C17H19N5/c1-2-6-16-15(5-1)19-17(20-16)13-21-8-10-22(11-9-21)14-4-3-7-18-12-14/h1-7,12H,8-11,13H2,(H,19,20)
InChIKeyZQTBZBWXRRYDBT-UHFFFAOYSA-N
XLogP2.28
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303
2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 11289781
2-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]-1H-benzimidazole
CID 45199332
(2S)-1-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one
CID 97248115
2-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 75438688
2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1H-benzimidazole
CID 142265346
2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 11738728
1-(naphthalen-1-ylmethyl)-4-pyridin-3-ylpiperazine
CID 146025672
N-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]methanesulfonamide
CID 10156977
[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-(3-ethyl-4-pyridinyl)methanone
CID 86806429
5-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole
CID 133423864
(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-[(4-pyridin-3-ylpiperazin-1-yl)methyl]-1H-benzimidazole?
The IUPAC name of 2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]-1H-benzimidazole (CID 11300847) is 2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]-1H-benzimidazole?
The canonical SMILES for 2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]-1H-benzimidazole is c1cncc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)c1.
What is the InChIKey of 2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]-1H-benzimidazole?
The InChIKey is ZQTBZBWXRRYDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-2-6-16-15(5-1)19-17(20-16)13-21-8-10-22(11-9-21)14-4-3-7-18-12-14/h1-7,12H,8-11,13H2,(H,19,20).
What are the key properties of 2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]-1H-benzimidazole?
2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]-1H-benzimidazole has a molecular weight of 293.37 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]-1H-benzimidazole is sourced from PubChem (CID 11300847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).