ethyl (2R,3S)-3,7-diphenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate

C22H20N2O2 — CID 139236798

IUPACethyl (2R,3S)-3,7-diphenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)[C@@H]1N=C2C=C(c3ccccc3)C=CN2[C@H]1c1ccccc1
InChIInChI=1S/C22H20N2O2/c1-2-26-22(25)20-21(17-11-7-4-8-12-17)24-14-13-18(15-19(24)23-20)16-9-5-3-6-10-16/h3-15,20-21H,2H2,1H3/t20-,21+/m1/s1
InChIKeyDYIPAVJDRKPGDZ-RTWAWAEBSA-N
MW344.41 g/mol
LogP3.98
Rot. Bonds4

About ethyl (2R,3S)-3,7-diphenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate

ethyl (2R,3S)-3,7-diphenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 139236798) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is ethyl (2R,3S)-3,7-diphenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3S)-3,7-diphenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID139236798
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Nameethyl (2R,3S)-3,7-diphenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)[C@@H]1N=C2C=C(c3ccccc3)C=CN2[C@H]1c1ccccc1
InChIInChI=1S/C22H20N2O2/c1-2-26-22(25)20-21(17-11-7-4-8-12-17)24-14-13-18(15-19(24)23-20)16-9-5-3-6-10-16/h3-15,20-21H,2H2,1H3/t20-,21+/m1/s1
InChIKeyDYIPAVJDRKPGDZ-RTWAWAEBSA-N
XLogP3.98
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R*,5R*)-1-Benzyl-2,4,5-triphenyl-4,5-dihydro-1H-imidazole-4-carboxylic acid ethyl ester
CID 25210570
ethyl (4S,5S)-3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylate
CID 25231810
ethyl (4R,5R)-3-benzyl-4-(4-fluorophenyl)-2,5-diphenyl-4H-imidazole-5-carboxylate
CID 44591590
ethyl 3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylate
CID 25261861
methyl (4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylate
CID 25231639
methyl (4R,5R)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate
CID 44591521
methyl (4R,5R)-3-benzyl-2,4-diphenyl-5-propan-2-yl-4H-imidazole-5-carboxylate
CID 44591522
methyl (4R,5R)-3,5-dibenzyl-2,4-diphenyl-4H-imidazole-5-carboxylate
CID 44591523
propyl (4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylate
CID 44591542
propan-2-yl (4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylate
CID 44591543
ethyl (4R,5R)-3-[(4-methylphenyl)methyl]-2,4,5-triphenyl-4H-imidazole-5-carboxylate
CID 44591609
ethyl (4R,5R)-3-[(4-fluorophenyl)methyl]-2,4,5-triphenyl-4H-imidazole-5-carboxylate
CID 44591619

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S)-3,7-diphenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl (2R,3S)-3,7-diphenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate (CID 139236798) is ethyl (2R,3S)-3,7-diphenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl (2R,3S)-3,7-diphenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl (2R,3S)-3,7-diphenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)[C@@H]1N=C2C=C(c3ccccc3)C=CN2[C@H]1c1ccccc1.
What is the InChIKey of ethyl (2R,3S)-3,7-diphenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is DYIPAVJDRKPGDZ-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-2-26-22(25)20-21(17-11-7-4-8-12-17)24-14-13-18(15-19(24)23-20)16-9-5-3-6-10-16/h3-15,20-21H,2H2,1H3/t20-,21+/m1/s1.
What are the key properties of ethyl (2R,3S)-3,7-diphenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate?
ethyl (2R,3S)-3,7-diphenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S)-3,7-diphenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 139236798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).