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

C16H16N2O2 — CID 139236789

IUPACethyl (2R,3S)-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)[C@@H]1N=C2C=CC=CN2[C@H]1c1ccccc1
InChIInChI=1S/C16H16N2O2/c1-2-20-16(19)14-15(12-8-4-3-5-9-12)18-11-7-6-10-13(18)17-14/h3-11,14-15H,2H2,1H3/t14-,15+/m1/s1
InChIKeyLJIHOULRRKFDMD-CABCVRRESA-N
MW268.32 g/mol
LogP2.46
Rot. Bonds3

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

ethyl (2R,3S)-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 139236789) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is ethyl (2R,3S)-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3S)-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID139236789
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Nameethyl (2R,3S)-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)[C@@H]1N=C2C=CC=CN2[C@H]1c1ccccc1
InChIInChI=1S/C16H16N2O2/c1-2-20-16(19)14-15(12-8-4-3-5-9-12)18-11-7-6-10-13(18)17-14/h3-11,14-15H,2H2,1H3/t14-,15+/m1/s1
InChIKeyLJIHOULRRKFDMD-CABCVRRESA-N
XLogP2.46
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
methyl (2R,3S)-6-chloro-3-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
CID 139236791
(4S,5S)-3-benzyl-2,5-dimethyl-4-phenyl-4H-imidazole-5-carboxylic acid
CID 70864045
Ethyl 6-bromo-2-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate
CID 67963127
Ethyl 6-chloro-2-(4-fluorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate
CID 67963133
Ethyl 2-[1-(diethylamino)propylideneamino]-3-phenylpropanoate
CID 134875620
(4S,5R)-3-benzyl-2,5-dimethyl-4-phenyl-4H-imidazole-5-carboxylic acid
CID 135002318
(4S,5S)-3-benzyl-2-methyl-4-phenyl-5-propan-2-yl-4H-imidazole-5-carboxylic acid
CID 135002327
(4S,5R)-3-benzyl-2-methyl-4-phenyl-5-propan-2-yl-4H-imidazole-5-carboxylic acid
CID 135002717
Methyl 1-butyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate
CID 135041040

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S)-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl (2R,3S)-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate (CID 139236789) is ethyl (2R,3S)-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl (2R,3S)-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl (2R,3S)-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)[C@@H]1N=C2C=CC=CN2[C@H]1c1ccccc1.
What is the InChIKey of ethyl (2R,3S)-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is LJIHOULRRKFDMD-CABCVRRESA-N. The full InChI is InChI=1S/C16H16N2O2/c1-2-20-16(19)14-15(12-8-4-3-5-9-12)18-11-7-6-10-13(18)17-14/h3-11,14-15H,2H2,1H3/t14-,15+/m1/s1.
What are the key properties of ethyl (2R,3S)-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate?
ethyl (2R,3S)-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 268.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S)-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 139236789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).