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

C18H21N5 — CID 11255258

IUPAC2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-benzimidazole
SMILESc1ccc(N2CCN(CCc3nc4ccccc4[nH]3)CC2)nc1
InChIInChI=1S/C18H21N5/c1-2-6-16-15(5-1)20-17(21-16)8-10-22-11-13-23(14-12-22)18-7-3-4-9-19-18/h1-7,9H,8,10-14H2,(H,20,21)
InChIKeySGQINIGEEAYUDC-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.32
Rot. Bonds4

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

2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-benzimidazole (PubChem CID 11255258) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-benzimidazole
PubChem CID11255258
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-benzimidazole
SMILESc1ccc(N2CCN(CCc3nc4ccccc4[nH]3)CC2)nc1
InChIInChI=1S/C18H21N5/c1-2-6-16-15(5-1)20-17(21-16)8-10-22-11-13-23(14-12-22)18-7-3-4-9-19-18/h1-7,9H,8,10-14H2,(H,20,21)
InChIKeySGQINIGEEAYUDC-UHFFFAOYSA-N
XLogP2.32
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-benzimidazole?
The IUPAC name of 2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-benzimidazole (CID 11255258) is 2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-benzimidazole.
What is the SMILES notation for 2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-benzimidazole?
The canonical SMILES for 2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-benzimidazole is c1ccc(N2CCN(CCc3nc4ccccc4[nH]3)CC2)nc1.
What is the InChIKey of 2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-benzimidazole?
The InChIKey is SGQINIGEEAYUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-2-6-16-15(5-1)20-17(21-16)8-10-22-11-13-23(14-12-22)18-7-3-4-9-19-18/h1-7,9H,8,10-14H2,(H,20,21).
What are the key properties of 2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-benzimidazole?
2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-benzimidazole has a molecular weight of 307.40 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-benzimidazole is sourced from PubChem (CID 11255258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).