3-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-2-ethylpyridine

C22H21N3 — CID 68569076

IUPAC3-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-2-ethylpyridine
SMILESCCc1ncccc1C1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N1
InChIInChI=1S/C22H21N3/c1-2-19-18(14-9-15-23-19)22-24-20(16-10-5-3-6-11-16)21(25-22)17-12-7-4-8-13-17/h3-15,20-21H,2H2,1H3,(H,24,25)/t20-,21+
InChIKeySCSONEIGGIMYQD-OYRHEFFESA-N
MW327.43 g/mol
LogP4.48
Rot. Bonds4

About 3-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-2-ethylpyridine

3-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-2-ethylpyridine (PubChem CID 68569076) has the molecular formula C22H21N3 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-2-ethylpyridine.

Molecular Properties

Compound Name3-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-2-ethylpyridine
PubChem CID68569076
Molecular FormulaC22H21N3
Molecular Weight327.43 g/mol
Exact Mass327.17
IUPAC Name3-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-2-ethylpyridine
SMILESCCc1ncccc1C1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N1
InChIInChI=1S/C22H21N3/c1-2-19-18(14-9-15-23-19)22-24-20(16-10-5-3-6-11-16)21(25-22)17-12-7-4-8-13-17/h3-15,20-21H,2H2,1H3,(H,24,25)/t20-,21+
InChIKeySCSONEIGGIMYQD-OYRHEFFESA-N
XLogP4.48
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-2-ethylpyridine?
The IUPAC name of 3-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-2-ethylpyridine (CID 68569076) is 3-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-2-ethylpyridine.
What is the SMILES notation for 3-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-2-ethylpyridine?
The canonical SMILES for 3-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-2-ethylpyridine is CCc1ncccc1C1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N1.
What is the InChIKey of 3-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-2-ethylpyridine?
The InChIKey is SCSONEIGGIMYQD-OYRHEFFESA-N. The full InChI is InChI=1S/C22H21N3/c1-2-19-18(14-9-15-23-19)22-24-20(16-10-5-3-6-11-16)21(25-22)17-12-7-4-8-13-17/h3-15,20-21H,2H2,1H3,(H,24,25)/t20-,21+.
What are the key properties of 3-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-2-ethylpyridine?
3-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-2-ethylpyridine has a molecular weight of 327.43 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-2-ethylpyridine is sourced from PubChem (CID 68569076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).