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

C17H19N5 — CID 5025739

IUPAC2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole
SMILESc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)nc1
InChIInChI=1S/C17H19N5/c1-2-6-15-14(5-1)19-16(20-15)13-21-9-11-22(12-10-21)17-7-3-4-8-18-17/h1-8H,9-13H2,(H,19,20)
InChIKeyFRPJGTNLZNXQEX-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.28
Rot. Bonds3

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

2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole (PubChem CID 5025739) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole
PubChem CID5025739
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole
SMILESc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)nc1
InChIInChI=1S/C17H19N5/c1-2-6-15-14(5-1)19-16(20-15)13-21-9-11-22(12-10-21)17-7-3-4-8-18-17/h1-8H,9-13H2,(H,19,20)
InChIKeyFRPJGTNLZNXQEX-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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole?
The IUPAC name of 2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole (CID 5025739) is 2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole?
The canonical SMILES for 2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole is c1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)nc1.
What is the InChIKey of 2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole?
The InChIKey is FRPJGTNLZNXQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-2-6-15-14(5-1)19-16(20-15)13-21-9-11-22(12-10-21)17-7-3-4-8-18-17/h1-8H,9-13H2,(H,19,20).
What are the key properties of 2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole?
2-[(4-pyridin-2-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-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole is sourced from PubChem (CID 5025739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).