3-(1H-imidazol-2-yl)-5-(1H-imidazol-2-ylmethyl)-5-[2-(1,3-oxazol-2-yl)phenyl]-1,2,3,4-tetraphenyl-4-pyridin-2-ylpyrrolidine-2-carbonitrile

C50H38N8O — CID 140975995

IUPAC3-(1H-imidazol-2-yl)-5-(1H-imidazol-2-ylmethyl)-5-[2-(1,3-oxazol-2-yl)phenyl]-1,2,3,4-tetraphenyl-4-pyridin-2-ylpyrrolidine-2-carbonitrile
SMILESN#CC1(c2ccccc2)N(c2ccccc2)C(Cc2ncc[nH]2)(c2ccccc2-c2ncco2)C(c2ccccc2)(c2ccccn2)C1(c1ccccc1)c1ncc[nH]1
InChIInChI=1S/C50H38N8O/c51-36-48(37-17-5-1-6-18-37)50(46-56-31-32-57-46,39-21-9-3-10-22-39)49(38-19-7-2-8-20-38,43-27-15-16-28-52-43)47(35-44-53-29-30-54-44,58(48)40-23-11-4-12-24-40)42-26-14-13-25-41(42)45-55-33-34-59-45/h1-34H,35H2,(H,53,54)(H,56,57)
InChIKeyJXPDISRTTCWMJU-UHFFFAOYSA-N
MW766.91 g/mol
LogP9.53
Rot. Bonds10

About 3-(1H-imidazol-2-yl)-5-(1H-imidazol-2-ylmethyl)-5-[2-(1,3-oxazol-2-yl)phenyl]-1,2,3,4-tetraphenyl-4-pyridin-2-ylpyrrolidine-2-carbonitrile

3-(1H-imidazol-2-yl)-5-(1H-imidazol-2-ylmethyl)-5-[2-(1,3-oxazol-2-yl)phenyl]-1,2,3,4-tetraphenyl-4-pyridin-2-ylpyrrolidine-2-carbonitrile (PubChem CID 140975995) has the molecular formula C50H38N8O and a molecular weight of 766.91 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)-5-(1H-imidazol-2-ylmethyl)-5-[2-(1,3-oxazol-2-yl)phenyl]-1,2,3,4-tetraphenyl-4-pyridin-2-ylpyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)-5-(1H-imidazol-2-ylmethyl)-5-[2-(1,3-oxazol-2-yl)phenyl]-1,2,3,4-tetraphenyl-4-pyridin-2-ylpyrrolidine-2-carbonitrile
PubChem CID140975995
Molecular FormulaC50H38N8O
Molecular Weight766.91 g/mol
Exact Mass766.32
IUPAC Name3-(1H-imidazol-2-yl)-5-(1H-imidazol-2-ylmethyl)-5-[2-(1,3-oxazol-2-yl)phenyl]-1,2,3,4-tetraphenyl-4-pyridin-2-ylpyrrolidine-2-carbonitrile
SMILESN#CC1(c2ccccc2)N(c2ccccc2)C(Cc2ncc[nH]2)(c2ccccc2-c2ncco2)C(c2ccccc2)(c2ccccn2)C1(c1ccccc1)c1ncc[nH]1
InChIInChI=1S/C50H38N8O/c51-36-48(37-17-5-1-6-18-37)50(46-56-31-32-57-46,39-21-9-3-10-22-39)49(38-19-7-2-8-20-38,43-27-15-16-28-52-43)47(35-44-53-29-30-54-44,58(48)40-23-11-4-12-24-40)42-26-14-13-25-41(42)45-55-33-34-59-45/h1-34H,35H2,(H,53,54)(H,56,57)
InChIKeyJXPDISRTTCWMJU-UHFFFAOYSA-N
XLogP9.53
TPSA123.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.91
LogP ≤ 59.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(1H-imidazol-2-yl)-5-(1H-imidazol-2-ylmethyl)-5-[2-(1,3-oxazol-2-yl)phenyl]-1,2,3,4-tetraphenyl-4-pyridin-2-ylpyrrolidine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)-5-(1H-imidazol-2-ylmethyl)-5-[2-(1,3-oxazol-2-yl)phenyl]-1,2,3,4-tetraphenyl-4-pyridin-2-ylpyrrolidine-2-carbonitrile?
The IUPAC name of 3-(1H-imidazol-2-yl)-5-(1H-imidazol-2-ylmethyl)-5-[2-(1,3-oxazol-2-yl)phenyl]-1,2,3,4-tetraphenyl-4-pyridin-2-ylpyrrolidine-2-carbonitrile (CID 140975995) is 3-(1H-imidazol-2-yl)-5-(1H-imidazol-2-ylmethyl)-5-[2-(1,3-oxazol-2-yl)phenyl]-1,2,3,4-tetraphenyl-4-pyridin-2-ylpyrrolidine-2-carbonitrile.
What is the SMILES notation for 3-(1H-imidazol-2-yl)-5-(1H-imidazol-2-ylmethyl)-5-[2-(1,3-oxazol-2-yl)phenyl]-1,2,3,4-tetraphenyl-4-pyridin-2-ylpyrrolidine-2-carbonitrile?
The canonical SMILES for 3-(1H-imidazol-2-yl)-5-(1H-imidazol-2-ylmethyl)-5-[2-(1,3-oxazol-2-yl)phenyl]-1,2,3,4-tetraphenyl-4-pyridin-2-ylpyrrolidine-2-carbonitrile is N#CC1(c2ccccc2)N(c2ccccc2)C(Cc2ncc[nH]2)(c2ccccc2-c2ncco2)C(c2ccccc2)(c2ccccn2)C1(c1ccccc1)c1ncc[nH]1.
What is the InChIKey of 3-(1H-imidazol-2-yl)-5-(1H-imidazol-2-ylmethyl)-5-[2-(1,3-oxazol-2-yl)phenyl]-1,2,3,4-tetraphenyl-4-pyridin-2-ylpyrrolidine-2-carbonitrile?
The InChIKey is JXPDISRTTCWMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38N8O/c51-36-48(37-17-5-1-6-18-37)50(46-56-31-32-57-46,39-21-9-3-10-22-39)49(38-19-7-2-8-20-38,43-27-15-16-28-52-43)47(35-44-53-29-30-54-44,58(48)40-23-11-4-12-24-40)42-26-14-13-25-41(42)45-55-33-34-59-45/h1-34H,35H2,(H,53,54)(H,56,57).
What are the key properties of 3-(1H-imidazol-2-yl)-5-(1H-imidazol-2-ylmethyl)-5-[2-(1,3-oxazol-2-yl)phenyl]-1,2,3,4-tetraphenyl-4-pyridin-2-ylpyrrolidine-2-carbonitrile?
3-(1H-imidazol-2-yl)-5-(1H-imidazol-2-ylmethyl)-5-[2-(1,3-oxazol-2-yl)phenyl]-1,2,3,4-tetraphenyl-4-pyridin-2-ylpyrrolidine-2-carbonitrile has a molecular weight of 766.91 g/mol, XLogP of 9.53, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)-5-(1H-imidazol-2-ylmethyl)-5-[2-(1,3-oxazol-2-yl)phenyl]-1,2,3,4-tetraphenyl-4-pyridin-2-ylpyrrolidine-2-carbonitrile is sourced from PubChem (CID 140975995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).