(2S)-1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone

C23H25N3O2 — CID 70710684

IUPAC(2S)-1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone
SMILESO=C([C@@H](O)c1ccccc1)N1CCC(c2nccn2Cc2ccccc2)CC1
InChIInChI=1S/C23H25N3O2/c27-21(19-9-5-2-6-10-19)23(28)25-14-11-20(12-15-25)22-24-13-16-26(22)17-18-7-3-1-4-8-18/h1-10,13,16,20-21,27H,11-12,14-15,17H2/t21-/m0/s1
InChIKeyHICSTAIBNPAMLB-NRFANRHFSA-N
MW375.47 g/mol
LogP3.37
Rot. Bonds5

About (2S)-1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone

(2S)-1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone (PubChem CID 70710684) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is (2S)-1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone.

Molecular Properties

Compound Name(2S)-1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone
PubChem CID70710684
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name(2S)-1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone
SMILESO=C([C@@H](O)c1ccccc1)N1CCC(c2nccn2Cc2ccccc2)CC1
InChIInChI=1S/C23H25N3O2/c27-21(19-9-5-2-6-10-19)23(28)25-14-11-20(12-15-25)22-24-13-16-26(22)17-18-7-3-1-4-8-18/h1-10,13,16,20-21,27H,11-12,14-15,17H2/t21-/m0/s1
InChIKeyHICSTAIBNPAMLB-NRFANRHFSA-N
XLogP3.37
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone?
The IUPAC name of (2S)-1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone (CID 70710684) is (2S)-1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone.
What is the SMILES notation for (2S)-1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone?
The canonical SMILES for (2S)-1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone is O=C([C@@H](O)c1ccccc1)N1CCC(c2nccn2Cc2ccccc2)CC1.
What is the InChIKey of (2S)-1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone?
The InChIKey is HICSTAIBNPAMLB-NRFANRHFSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-21(19-9-5-2-6-10-19)23(28)25-14-11-20(12-15-25)22-24-13-16-26(22)17-18-7-3-1-4-8-18/h1-10,13,16,20-21,27H,11-12,14-15,17H2/t21-/m0/s1.
What are the key properties of (2S)-1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone?
(2S)-1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone has a molecular weight of 375.47 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone is sourced from PubChem (CID 70710684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).