1-[(2S,5R)-2-phenyl-5-(2-phenyl-4-pyridin-2-yl-1H-imidazol-5-yl)piperidin-1-yl]ethanone

C27H26N4O — CID 89492426

IUPAC1-[(2S,5R)-2-phenyl-5-(2-phenyl-4-pyridin-2-yl-1H-imidazol-5-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1C[C@H](c2[nH]c(-c3ccccc3)nc2-c2ccccn2)CC[C@H]1c1ccccc1
InChIInChI=1S/C27H26N4O/c1-19(32)31-18-22(15-16-24(31)20-10-4-2-5-11-20)25-26(23-14-8-9-17-28-23)30-27(29-25)21-12-6-3-7-13-21/h2-14,17,22,24H,15-16,18H2,1H3,(H,29,30)/t22-,24+/m1/s1
InChIKeyXCAJLNFIIKMIJF-VWNXMTODSA-N
MW422.53 g/mol
LogP5.61
Rot. Bonds4

About 1-[(2S,5R)-2-phenyl-5-(2-phenyl-4-pyridin-2-yl-1H-imidazol-5-yl)piperidin-1-yl]ethanone

1-[(2S,5R)-2-phenyl-5-(2-phenyl-4-pyridin-2-yl-1H-imidazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 89492426) has the molecular formula C27H26N4O and a molecular weight of 422.53 g/mol. Its IUPAC name is 1-[(2S,5R)-2-phenyl-5-(2-phenyl-4-pyridin-2-yl-1H-imidazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,5R)-2-phenyl-5-(2-phenyl-4-pyridin-2-yl-1H-imidazol-5-yl)piperidin-1-yl]ethanone
PubChem CID89492426
Molecular FormulaC27H26N4O
Molecular Weight422.53 g/mol
Exact Mass422.21
IUPAC Name1-[(2S,5R)-2-phenyl-5-(2-phenyl-4-pyridin-2-yl-1H-imidazol-5-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1C[C@H](c2[nH]c(-c3ccccc3)nc2-c2ccccn2)CC[C@H]1c1ccccc1
InChIInChI=1S/C27H26N4O/c1-19(32)31-18-22(15-16-24(31)20-10-4-2-5-11-20)25-26(23-14-8-9-17-28-23)30-27(29-25)21-12-6-3-7-13-21/h2-14,17,22,24H,15-16,18H2,1H3,(H,29,30)/t22-,24+/m1/s1
InChIKeyXCAJLNFIIKMIJF-VWNXMTODSA-N
XLogP5.61
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,5R)-2-phenyl-5-(2-phenyl-4-pyridin-2-yl-1H-imidazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[(2S,5R)-2-phenyl-5-(2-phenyl-4-pyridin-2-yl-1H-imidazol-5-yl)piperidin-1-yl]ethanone (CID 89492426) is 1-[(2S,5R)-2-phenyl-5-(2-phenyl-4-pyridin-2-yl-1H-imidazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S,5R)-2-phenyl-5-(2-phenyl-4-pyridin-2-yl-1H-imidazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S,5R)-2-phenyl-5-(2-phenyl-4-pyridin-2-yl-1H-imidazol-5-yl)piperidin-1-yl]ethanone is CC(=O)N1C[C@H](c2[nH]c(-c3ccccc3)nc2-c2ccccn2)CC[C@H]1c1ccccc1.
What is the InChIKey of 1-[(2S,5R)-2-phenyl-5-(2-phenyl-4-pyridin-2-yl-1H-imidazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is XCAJLNFIIKMIJF-VWNXMTODSA-N. The full InChI is InChI=1S/C27H26N4O/c1-19(32)31-18-22(15-16-24(31)20-10-4-2-5-11-20)25-26(23-14-8-9-17-28-23)30-27(29-25)21-12-6-3-7-13-21/h2-14,17,22,24H,15-16,18H2,1H3,(H,29,30)/t22-,24+/m1/s1.
What are the key properties of 1-[(2S,5R)-2-phenyl-5-(2-phenyl-4-pyridin-2-yl-1H-imidazol-5-yl)piperidin-1-yl]ethanone?
1-[(2S,5R)-2-phenyl-5-(2-phenyl-4-pyridin-2-yl-1H-imidazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 422.53 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,5R)-2-phenyl-5-(2-phenyl-4-pyridin-2-yl-1H-imidazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 89492426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).