2-hydroxy-1-[4-[[2-(4-hydroxy-3,5-dimethylphenyl)benzimidazol-1-yl]methyl]piperidin-1-yl]ethanone

C23H27N3O3 — CID 155533896

IUPAC2-hydroxy-1-[4-[[2-(4-hydroxy-3,5-dimethylphenyl)benzimidazol-1-yl]methyl]piperidin-1-yl]ethanone
SMILESCc1cc(-c2nc3ccccc3n2CC2CCN(C(=O)CO)CC2)cc(C)c1O
InChIInChI=1S/C23H27N3O3/c1-15-11-18(12-16(2)22(15)29)23-24-19-5-3-4-6-20(19)26(23)13-17-7-9-25(10-8-17)21(28)14-27/h3-6,11-12,17,27,29H,7-10,13-14H2,1-2H3
InChIKeyJQIZLCCTAYQZIS-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.26
Rot. Bonds4

About 2-hydroxy-1-[4-[[2-(4-hydroxy-3,5-dimethylphenyl)benzimidazol-1-yl]methyl]piperidin-1-yl]ethanone

2-hydroxy-1-[4-[[2-(4-hydroxy-3,5-dimethylphenyl)benzimidazol-1-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 155533896) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-hydroxy-1-[4-[[2-(4-hydroxy-3,5-dimethylphenyl)benzimidazol-1-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-[[2-(4-hydroxy-3,5-dimethylphenyl)benzimidazol-1-yl]methyl]piperidin-1-yl]ethanone
PubChem CID155533896
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-hydroxy-1-[4-[[2-(4-hydroxy-3,5-dimethylphenyl)benzimidazol-1-yl]methyl]piperidin-1-yl]ethanone
SMILESCc1cc(-c2nc3ccccc3n2CC2CCN(C(=O)CO)CC2)cc(C)c1O
InChIInChI=1S/C23H27N3O3/c1-15-11-18(12-16(2)22(15)29)23-24-19-5-3-4-6-20(19)26(23)13-17-7-9-25(10-8-17)21(28)14-27/h3-6,11-12,17,27,29H,7-10,13-14H2,1-2H3
InChIKeyJQIZLCCTAYQZIS-UHFFFAOYSA-N
XLogP3.26
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-[[2-(4-hydroxy-3,5-dimethylphenyl)benzimidazol-1-yl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[4-[[2-(4-hydroxy-3,5-dimethylphenyl)benzimidazol-1-yl]methyl]piperidin-1-yl]ethanone (CID 155533896) is 2-hydroxy-1-[4-[[2-(4-hydroxy-3,5-dimethylphenyl)benzimidazol-1-yl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[4-[[2-(4-hydroxy-3,5-dimethylphenyl)benzimidazol-1-yl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[4-[[2-(4-hydroxy-3,5-dimethylphenyl)benzimidazol-1-yl]methyl]piperidin-1-yl]ethanone is Cc1cc(-c2nc3ccccc3n2CC2CCN(C(=O)CO)CC2)cc(C)c1O.
What is the InChIKey of 2-hydroxy-1-[4-[[2-(4-hydroxy-3,5-dimethylphenyl)benzimidazol-1-yl]methyl]piperidin-1-yl]ethanone?
The InChIKey is JQIZLCCTAYQZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-15-11-18(12-16(2)22(15)29)23-24-19-5-3-4-6-20(19)26(23)13-17-7-9-25(10-8-17)21(28)14-27/h3-6,11-12,17,27,29H,7-10,13-14H2,1-2H3.
What are the key properties of 2-hydroxy-1-[4-[[2-(4-hydroxy-3,5-dimethylphenyl)benzimidazol-1-yl]methyl]piperidin-1-yl]ethanone?
2-hydroxy-1-[4-[[2-(4-hydroxy-3,5-dimethylphenyl)benzimidazol-1-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 393.49 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-[[2-(4-hydroxy-3,5-dimethylphenyl)benzimidazol-1-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 155533896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).