2-[2-phenyl-5-[(3R,6S)-6-phenyl-1-(2-phenylethyl)piperidin-3-yl]-1H-imidazol-4-yl]pyridine

C33H32N4 — CID 89492440

IUPAC2-[2-phenyl-5-[(3R,6S)-6-phenyl-1-(2-phenylethyl)piperidin-3-yl]-1H-imidazol-4-yl]pyridine
SMILESc1ccc(CCN2C[C@H](c3[nH]c(-c4ccccc4)nc3-c3ccccn3)CC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C33H32N4/c1-4-12-25(13-5-1)21-23-37-24-28(19-20-30(37)26-14-6-2-7-15-26)31-32(29-18-10-11-22-34-29)36-33(35-31)27-16-8-3-9-17-27/h1-18,22,28,30H,19-21,23-24H2,(H,35,36)/t28-,30+/m1/s1
InChIKeyRWKQYDFJQBJUGR-DGPALRBDSA-N
MW484.65 g/mol
LogP7.30
Rot. Bonds7

About 2-[2-phenyl-5-[(3R,6S)-6-phenyl-1-(2-phenylethyl)piperidin-3-yl]-1H-imidazol-4-yl]pyridine

2-[2-phenyl-5-[(3R,6S)-6-phenyl-1-(2-phenylethyl)piperidin-3-yl]-1H-imidazol-4-yl]pyridine (PubChem CID 89492440) has the molecular formula C33H32N4 and a molecular weight of 484.65 g/mol. Its IUPAC name is 2-[2-phenyl-5-[(3R,6S)-6-phenyl-1-(2-phenylethyl)piperidin-3-yl]-1H-imidazol-4-yl]pyridine.

Molecular Properties

Compound Name2-[2-phenyl-5-[(3R,6S)-6-phenyl-1-(2-phenylethyl)piperidin-3-yl]-1H-imidazol-4-yl]pyridine
PubChem CID89492440
Molecular FormulaC33H32N4
Molecular Weight484.65 g/mol
Exact Mass484.26
IUPAC Name2-[2-phenyl-5-[(3R,6S)-6-phenyl-1-(2-phenylethyl)piperidin-3-yl]-1H-imidazol-4-yl]pyridine
SMILESc1ccc(CCN2C[C@H](c3[nH]c(-c4ccccc4)nc3-c3ccccn3)CC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C33H32N4/c1-4-12-25(13-5-1)21-23-37-24-28(19-20-30(37)26-14-6-2-7-15-26)31-32(29-18-10-11-22-34-29)36-33(35-31)27-16-8-3-9-17-27/h1-18,22,28,30H,19-21,23-24H2,(H,35,36)/t28-,30+/m1/s1
InChIKeyRWKQYDFJQBJUGR-DGPALRBDSA-N
XLogP7.30
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.65
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-phenyl-5-[(3R,6S)-6-phenyl-1-(2-phenylethyl)piperidin-3-yl]-1H-imidazol-4-yl]pyridine?
The IUPAC name of 2-[2-phenyl-5-[(3R,6S)-6-phenyl-1-(2-phenylethyl)piperidin-3-yl]-1H-imidazol-4-yl]pyridine (CID 89492440) is 2-[2-phenyl-5-[(3R,6S)-6-phenyl-1-(2-phenylethyl)piperidin-3-yl]-1H-imidazol-4-yl]pyridine.
What is the SMILES notation for 2-[2-phenyl-5-[(3R,6S)-6-phenyl-1-(2-phenylethyl)piperidin-3-yl]-1H-imidazol-4-yl]pyridine?
The canonical SMILES for 2-[2-phenyl-5-[(3R,6S)-6-phenyl-1-(2-phenylethyl)piperidin-3-yl]-1H-imidazol-4-yl]pyridine is c1ccc(CCN2C[C@H](c3[nH]c(-c4ccccc4)nc3-c3ccccn3)CC[C@H]2c2ccccc2)cc1.
What is the InChIKey of 2-[2-phenyl-5-[(3R,6S)-6-phenyl-1-(2-phenylethyl)piperidin-3-yl]-1H-imidazol-4-yl]pyridine?
The InChIKey is RWKQYDFJQBJUGR-DGPALRBDSA-N. The full InChI is InChI=1S/C33H32N4/c1-4-12-25(13-5-1)21-23-37-24-28(19-20-30(37)26-14-6-2-7-15-26)31-32(29-18-10-11-22-34-29)36-33(35-31)27-16-8-3-9-17-27/h1-18,22,28,30H,19-21,23-24H2,(H,35,36)/t28-,30+/m1/s1.
What are the key properties of 2-[2-phenyl-5-[(3R,6S)-6-phenyl-1-(2-phenylethyl)piperidin-3-yl]-1H-imidazol-4-yl]pyridine?
2-[2-phenyl-5-[(3R,6S)-6-phenyl-1-(2-phenylethyl)piperidin-3-yl]-1H-imidazol-4-yl]pyridine has a molecular weight of 484.65 g/mol, XLogP of 7.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-phenyl-5-[(3R,6S)-6-phenyl-1-(2-phenylethyl)piperidin-3-yl]-1H-imidazol-4-yl]pyridine is sourced from PubChem (CID 89492440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).