2-(4-tert-butylphenyl)-4-piperazin-1-yl-1H-benzimidazole;ethane

C23H32N4 — CID 143169118

IUPAC2-(4-tert-butylphenyl)-4-piperazin-1-yl-1H-benzimidazole;ethane
SMILESCC.CC(C)(C)c1ccc(-c2nc3c(N4CCNCC4)cccc3[nH]2)cc1
InChIInChI=1S/C21H26N4.C2H6/c1-21(2,3)16-9-7-15(8-10-16)20-23-17-5-4-6-18(19(17)24-20)25-13-11-22-12-14-25;1-2/h4-10,22H,11-14H2,1-3H3,(H,23,24);1-2H3
InChIKeyUVBQKCATEHFTFP-UHFFFAOYSA-N
MW364.54 g/mol
LogP4.96
Rot. Bonds2

About 2-(4-tert-butylphenyl)-4-piperazin-1-yl-1H-benzimidazole;ethane

2-(4-tert-butylphenyl)-4-piperazin-1-yl-1H-benzimidazole;ethane (PubChem CID 143169118) has the molecular formula C23H32N4 and a molecular weight of 364.54 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-4-piperazin-1-yl-1H-benzimidazole;ethane.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-4-piperazin-1-yl-1H-benzimidazole;ethane
PubChem CID143169118
Molecular FormulaC23H32N4
Molecular Weight364.54 g/mol
Exact Mass364.26
IUPAC Name2-(4-tert-butylphenyl)-4-piperazin-1-yl-1H-benzimidazole;ethane
SMILESCC.CC(C)(C)c1ccc(-c2nc3c(N4CCNCC4)cccc3[nH]2)cc1
InChIInChI=1S/C21H26N4.C2H6/c1-21(2,3)16-9-7-15(8-10-16)20-23-17-5-4-6-18(19(17)24-20)25-13-11-22-12-14-25;1-2/h4-10,22H,11-14H2,1-3H3,(H,23,24);1-2H3
InChIKeyUVBQKCATEHFTFP-UHFFFAOYSA-N
XLogP4.96
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-4-piperazin-1-yl-1H-benzimidazole;ethane?
The IUPAC name of 2-(4-tert-butylphenyl)-4-piperazin-1-yl-1H-benzimidazole;ethane (CID 143169118) is 2-(4-tert-butylphenyl)-4-piperazin-1-yl-1H-benzimidazole;ethane.
What is the SMILES notation for 2-(4-tert-butylphenyl)-4-piperazin-1-yl-1H-benzimidazole;ethane?
The canonical SMILES for 2-(4-tert-butylphenyl)-4-piperazin-1-yl-1H-benzimidazole;ethane is CC.CC(C)(C)c1ccc(-c2nc3c(N4CCNCC4)cccc3[nH]2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-4-piperazin-1-yl-1H-benzimidazole;ethane?
The InChIKey is UVBQKCATEHFTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4.C2H6/c1-21(2,3)16-9-7-15(8-10-16)20-23-17-5-4-6-18(19(17)24-20)25-13-11-22-12-14-25;1-2/h4-10,22H,11-14H2,1-3H3,(H,23,24);1-2H3.
What are the key properties of 2-(4-tert-butylphenyl)-4-piperazin-1-yl-1H-benzimidazole;ethane?
2-(4-tert-butylphenyl)-4-piperazin-1-yl-1H-benzimidazole;ethane has a molecular weight of 364.54 g/mol, XLogP of 4.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-4-piperazin-1-yl-1H-benzimidazole;ethane is sourced from PubChem (CID 143169118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).