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

C16H16ClN5 — CID 82562731

IUPAC6-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole
SMILESClc1ccc2nc(N3CCN(c4ccccn4)CC3)[nH]c2c1
InChIInChI=1S/C16H16ClN5/c17-12-4-5-13-14(11-12)20-16(19-13)22-9-7-21(8-10-22)15-3-1-2-6-18-15/h1-6,11H,7-10H2,(H,19,20)
InChIKeyPLCZQXWBNXMRHN-UHFFFAOYSA-N
MW313.79 g/mol
LogP2.94
Rot. Bonds2

About 6-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole

6-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole (PubChem CID 82562731) has the molecular formula C16H16ClN5 and a molecular weight of 313.79 g/mol. Its IUPAC name is 6-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole
PubChem CID82562731
Molecular FormulaC16H16ClN5
Molecular Weight313.79 g/mol
Exact Mass313.11
IUPAC Name6-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole
SMILESClc1ccc2nc(N3CCN(c4ccccn4)CC3)[nH]c2c1
InChIInChI=1S/C16H16ClN5/c17-12-4-5-13-14(11-12)20-16(19-13)22-9-7-21(8-10-22)15-3-1-2-6-18-15/h1-6,11H,7-10H2,(H,19,20)
InChIKeyPLCZQXWBNXMRHN-UHFFFAOYSA-N
XLogP2.94
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole?
The IUPAC name of 6-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole (CID 82562731) is 6-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole is Clc1ccc2nc(N3CCN(c4ccccn4)CC3)[nH]c2c1.
What is the InChIKey of 6-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole?
The InChIKey is PLCZQXWBNXMRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5/c17-12-4-5-13-14(11-12)20-16(19-13)22-9-7-21(8-10-22)15-3-1-2-6-18-15/h1-6,11H,7-10H2,(H,19,20).
What are the key properties of 6-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole?
6-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole has a molecular weight of 313.79 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole is sourced from PubChem (CID 82562731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).