2-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole

C16H17N5 — CID 7025556

IUPAC2-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole
SMILESc1ccc(N2CCN(c3nc4ccccc4[nH]3)CC2)nc1
InChIInChI=1S/C16H17N5/c1-2-6-14-13(5-1)18-16(19-14)21-11-9-20(10-12-21)15-7-3-4-8-17-15/h1-8H,9-12H2,(H,18,19)
InChIKeyDEQXICUKILJIKK-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.28
Rot. Bonds2

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

2-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole (PubChem CID 7025556) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole
PubChem CID7025556
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name2-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole
SMILESc1ccc(N2CCN(c3nc4ccccc4[nH]3)CC2)nc1
InChIInChI=1S/C16H17N5/c1-2-6-14-13(5-1)18-16(19-14)21-11-9-20(10-12-21)15-7-3-4-8-17-15/h1-8H,9-12H2,(H,18,19)
InChIKeyDEQXICUKILJIKK-UHFFFAOYSA-N
XLogP2.28
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
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)-1H-benzimidazole?
The IUPAC name of 2-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole (CID 7025556) is 2-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole?
The canonical SMILES for 2-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole is c1ccc(N2CCN(c3nc4ccccc4[nH]3)CC2)nc1.
What is the InChIKey of 2-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole?
The InChIKey is DEQXICUKILJIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-2-6-14-13(5-1)18-16(19-14)21-11-9-20(10-12-21)15-7-3-4-8-17-15/h1-8H,9-12H2,(H,18,19).
What are the key properties of 2-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole?
2-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole has a molecular weight of 279.35 g/mol, XLogP of 2.28, 2 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)-1H-benzimidazole is sourced from PubChem (CID 7025556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).