methyl (2R,3S)-6-bromo-3-(4-methylphenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate

C16H15BrN2O2 — CID 139236793

IUPACmethyl (2R,3S)-6-bromo-3-(4-methylphenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCOC(=O)[C@@H]1N=C2C=CC(Br)=CN2[C@H]1c1ccc(C)cc1
InChIInChI=1S/C16H15BrN2O2/c1-10-3-5-11(6-4-10)15-14(16(20)21-2)18-13-8-7-12(17)9-19(13)15/h3-9,14-15H,1-2H3/t14-,15+/m1/s1
InChIKeyOWNFKQVISCLHAS-CABCVRRESA-N
MW347.21 g/mol
LogP3.10
Rot. Bonds2

About methyl (2R,3S)-6-bromo-3-(4-methylphenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate

methyl (2R,3S)-6-bromo-3-(4-methylphenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 139236793) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is methyl (2R,3S)-6-bromo-3-(4-methylphenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3S)-6-bromo-3-(4-methylphenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID139236793
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Namemethyl (2R,3S)-6-bromo-3-(4-methylphenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCOC(=O)[C@@H]1N=C2C=CC(Br)=CN2[C@H]1c1ccc(C)cc1
InChIInChI=1S/C16H15BrN2O2/c1-10-3-5-11(6-4-10)15-14(16(20)21-2)18-13-8-7-12(17)9-19(13)15/h3-9,14-15H,1-2H3/t14-,15+/m1/s1
InChIKeyOWNFKQVISCLHAS-CABCVRRESA-N
XLogP3.10
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (2R,3S)-6-bromo-3-(4-methylphenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate with MolForge

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Related Compounds

methyl (4R,5R)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate
CID 44591521
methyl (2R,3S)-6-chloro-3-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
CID 139236791
2-bromo-2-(4-fluorophenyl)-3H-imidazo[1,2-a]pyridine-3-carboxylic acid
CID 67217761
6-Bromo-2-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 67963120
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
Methyl 1-butyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate
CID 135041040
ethyl (2R,3S)-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
CID 139236789
methyl (2R,3S)-3-(4-chlorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
CID 139236790
ethyl (2R,3S)-6-cyano-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
CID 139236794
ethyl (2R,3S)-7-methoxy-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
CID 139236795
ethyl (2R,3S)-5-methoxy-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
CID 139236796

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S)-6-bromo-3-(4-methylphenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of methyl (2R,3S)-6-bromo-3-(4-methylphenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate (CID 139236793) is methyl (2R,3S)-6-bromo-3-(4-methylphenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for methyl (2R,3S)-6-bromo-3-(4-methylphenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for methyl (2R,3S)-6-bromo-3-(4-methylphenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate is COC(=O)[C@@H]1N=C2C=CC(Br)=CN2[C@H]1c1ccc(C)cc1.
What is the InChIKey of methyl (2R,3S)-6-bromo-3-(4-methylphenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is OWNFKQVISCLHAS-CABCVRRESA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-10-3-5-11(6-4-10)15-14(16(20)21-2)18-13-8-7-12(17)9-19(13)15/h3-9,14-15H,1-2H3/t14-,15+/m1/s1.
What are the key properties of methyl (2R,3S)-6-bromo-3-(4-methylphenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate?
methyl (2R,3S)-6-bromo-3-(4-methylphenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 347.21 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-6-bromo-3-(4-methylphenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 139236793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).