4-[(5R,8R)-8-hydroxy-8-(4-phenylphenyl)-6,7-dihydro-5H-imidazo[1,5-a]pyridin-5-yl]benzonitrile

C26H21N3O — CID 89432516

IUPAC4-[(5R,8R)-8-hydroxy-8-(4-phenylphenyl)-6,7-dihydro-5H-imidazo[1,5-a]pyridin-5-yl]benzonitrile
SMILESN#Cc1ccc([C@H]2CC[C@@](O)(c3ccc(-c4ccccc4)cc3)c3cncn32)cc1
InChIInChI=1S/C26H21N3O/c27-16-19-6-8-22(9-7-19)24-14-15-26(30,25-17-28-18-29(24)25)23-12-10-21(11-13-23)20-4-2-1-3-5-20/h1-13,17-18,24,30H,14-15H2/t24-,26-/m1/s1
InChIKeyKAEFFKPXCVAQOE-AOYPEHQESA-N
MW391.47 g/mol
LogP5.04
Rot. Bonds3

About 4-[(5R,8R)-8-hydroxy-8-(4-phenylphenyl)-6,7-dihydro-5H-imidazo[1,5-a]pyridin-5-yl]benzonitrile

4-[(5R,8R)-8-hydroxy-8-(4-phenylphenyl)-6,7-dihydro-5H-imidazo[1,5-a]pyridin-5-yl]benzonitrile (PubChem CID 89432516) has the molecular formula C26H21N3O and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-[(5R,8R)-8-hydroxy-8-(4-phenylphenyl)-6,7-dihydro-5H-imidazo[1,5-a]pyridin-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[(5R,8R)-8-hydroxy-8-(4-phenylphenyl)-6,7-dihydro-5H-imidazo[1,5-a]pyridin-5-yl]benzonitrile
PubChem CID89432516
Molecular FormulaC26H21N3O
Molecular Weight391.47 g/mol
Exact Mass391.17
IUPAC Name4-[(5R,8R)-8-hydroxy-8-(4-phenylphenyl)-6,7-dihydro-5H-imidazo[1,5-a]pyridin-5-yl]benzonitrile
SMILESN#Cc1ccc([C@H]2CC[C@@](O)(c3ccc(-c4ccccc4)cc3)c3cncn32)cc1
InChIInChI=1S/C26H21N3O/c27-16-19-6-8-22(9-7-19)24-14-15-26(30,25-17-28-18-29(24)25)23-12-10-21(11-13-23)20-4-2-1-3-5-20/h1-13,17-18,24,30H,14-15H2/t24-,26-/m1/s1
InChIKeyKAEFFKPXCVAQOE-AOYPEHQESA-N
XLogP5.04
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5R,8R)-8-hydroxy-8-(4-phenylphenyl)-6,7-dihydro-5H-imidazo[1,5-a]pyridin-5-yl]benzonitrile?
The IUPAC name of 4-[(5R,8R)-8-hydroxy-8-(4-phenylphenyl)-6,7-dihydro-5H-imidazo[1,5-a]pyridin-5-yl]benzonitrile (CID 89432516) is 4-[(5R,8R)-8-hydroxy-8-(4-phenylphenyl)-6,7-dihydro-5H-imidazo[1,5-a]pyridin-5-yl]benzonitrile.
What is the SMILES notation for 4-[(5R,8R)-8-hydroxy-8-(4-phenylphenyl)-6,7-dihydro-5H-imidazo[1,5-a]pyridin-5-yl]benzonitrile?
The canonical SMILES for 4-[(5R,8R)-8-hydroxy-8-(4-phenylphenyl)-6,7-dihydro-5H-imidazo[1,5-a]pyridin-5-yl]benzonitrile is N#Cc1ccc([C@H]2CC[C@@](O)(c3ccc(-c4ccccc4)cc3)c3cncn32)cc1.
What is the InChIKey of 4-[(5R,8R)-8-hydroxy-8-(4-phenylphenyl)-6,7-dihydro-5H-imidazo[1,5-a]pyridin-5-yl]benzonitrile?
The InChIKey is KAEFFKPXCVAQOE-AOYPEHQESA-N. The full InChI is InChI=1S/C26H21N3O/c27-16-19-6-8-22(9-7-19)24-14-15-26(30,25-17-28-18-29(24)25)23-12-10-21(11-13-23)20-4-2-1-3-5-20/h1-13,17-18,24,30H,14-15H2/t24-,26-/m1/s1.
What are the key properties of 4-[(5R,8R)-8-hydroxy-8-(4-phenylphenyl)-6,7-dihydro-5H-imidazo[1,5-a]pyridin-5-yl]benzonitrile?
4-[(5R,8R)-8-hydroxy-8-(4-phenylphenyl)-6,7-dihydro-5H-imidazo[1,5-a]pyridin-5-yl]benzonitrile has a molecular weight of 391.47 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5R,8R)-8-hydroxy-8-(4-phenylphenyl)-6,7-dihydro-5H-imidazo[1,5-a]pyridin-5-yl]benzonitrile is sourced from PubChem (CID 89432516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).