6-tert-butyl-2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole

C20H24ClN5 — CID 11682182

IUPAC6-tert-butyl-2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole
SMILESCC(C)(C)c1ccc2nc(N3CCN(c4ncccc4Cl)CC3)[nH]c2c1
InChIInChI=1S/C20H24ClN5/c1-20(2,3)14-6-7-16-17(13-14)24-19(23-16)26-11-9-25(10-12-26)18-15(21)5-4-8-22-18/h4-8,13H,9-12H2,1-3H3,(H,23,24)
InChIKeyHLFPSEKSWJSPOD-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.24
Rot. Bonds2

About 6-tert-butyl-2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole

6-tert-butyl-2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole (PubChem CID 11682182) has the molecular formula C20H24ClN5 and a molecular weight of 369.90 g/mol. Its IUPAC name is 6-tert-butyl-2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-tert-butyl-2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole
PubChem CID11682182
Molecular FormulaC20H24ClN5
Molecular Weight369.90 g/mol
Exact Mass369.17
IUPAC Name6-tert-butyl-2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole
SMILESCC(C)(C)c1ccc2nc(N3CCN(c4ncccc4Cl)CC3)[nH]c2c1
InChIInChI=1S/C20H24ClN5/c1-20(2,3)14-6-7-16-17(13-14)24-19(23-16)26-11-9-25(10-12-26)18-15(21)5-4-8-22-18/h4-8,13H,9-12H2,1-3H3,(H,23,24)
InChIKeyHLFPSEKSWJSPOD-UHFFFAOYSA-N
XLogP4.24
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole?
The IUPAC name of 6-tert-butyl-2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole (CID 11682182) is 6-tert-butyl-2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole.
What is the SMILES notation for 6-tert-butyl-2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole?
The canonical SMILES for 6-tert-butyl-2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole is CC(C)(C)c1ccc2nc(N3CCN(c4ncccc4Cl)CC3)[nH]c2c1.
What is the InChIKey of 6-tert-butyl-2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole?
The InChIKey is HLFPSEKSWJSPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5/c1-20(2,3)14-6-7-16-17(13-14)24-19(23-16)26-11-9-25(10-12-26)18-15(21)5-4-8-22-18/h4-8,13H,9-12H2,1-3H3,(H,23,24).
What are the key properties of 6-tert-butyl-2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole?
6-tert-butyl-2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole has a molecular weight of 369.90 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole is sourced from PubChem (CID 11682182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).