6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-(2-hydroxyphenyl)hexan-1-one

C23H28N4O2 — CID 11101259

IUPAC6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-(2-hydroxyphenyl)hexan-1-one
SMILESO=C(CCCCCN1CCN(c2nc3ccccc3[nH]2)CC1)c1ccccc1O
InChIInChI=1S/C23H28N4O2/c28-21(18-8-3-6-12-22(18)29)11-2-1-7-13-26-14-16-27(17-15-26)23-24-19-9-4-5-10-20(19)25-23/h3-6,8-10,12,29H,1-2,7,11,13-17H2,(H,24,25)
InChIKeyXTVUWQYVAXTENN-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.83
Rot. Bonds8

About 6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-(2-hydroxyphenyl)hexan-1-one

6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-(2-hydroxyphenyl)hexan-1-one (PubChem CID 11101259) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-(2-hydroxyphenyl)hexan-1-one.

Molecular Properties

Compound Name6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-(2-hydroxyphenyl)hexan-1-one
PubChem CID11101259
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-(2-hydroxyphenyl)hexan-1-one
SMILESO=C(CCCCCN1CCN(c2nc3ccccc3[nH]2)CC1)c1ccccc1O
InChIInChI=1S/C23H28N4O2/c28-21(18-8-3-6-12-22(18)29)11-2-1-7-13-26-14-16-27(17-15-26)23-24-19-9-4-5-10-20(19)25-23/h3-6,8-10,12,29H,1-2,7,11,13-17H2,(H,24,25)
InChIKeyXTVUWQYVAXTENN-UHFFFAOYSA-N
XLogP3.83
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-(2-hydroxyphenyl)hexan-1-one?
The IUPAC name of 6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-(2-hydroxyphenyl)hexan-1-one (CID 11101259) is 6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-(2-hydroxyphenyl)hexan-1-one.
What is the SMILES notation for 6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-(2-hydroxyphenyl)hexan-1-one?
The canonical SMILES for 6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-(2-hydroxyphenyl)hexan-1-one is O=C(CCCCCN1CCN(c2nc3ccccc3[nH]2)CC1)c1ccccc1O.
What is the InChIKey of 6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-(2-hydroxyphenyl)hexan-1-one?
The InChIKey is XTVUWQYVAXTENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c28-21(18-8-3-6-12-22(18)29)11-2-1-7-13-26-14-16-27(17-15-26)23-24-19-9-4-5-10-20(19)25-23/h3-6,8-10,12,29H,1-2,7,11,13-17H2,(H,24,25).
What are the key properties of 6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-(2-hydroxyphenyl)hexan-1-one?
6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-(2-hydroxyphenyl)hexan-1-one has a molecular weight of 392.50 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-(2-hydroxyphenyl)hexan-1-one is sourced from PubChem (CID 11101259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).