methyl (2R,3S)-3-(4-chlorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate

C16H15ClN2O2 — CID 139236790

IUPACmethyl (2R,3S)-3-(4-chlorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCOC(=O)[C@@H]1N=C2C=C(C)C=CN2[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O2/c1-10-7-8-19-13(9-10)18-14(16(20)21-2)15(19)11-3-5-12(17)6-4-11/h3-9,14-15H,1-2H3/t14-,15+/m1/s1
InChIKeyJDLLQTHIUPFEDJ-CABCVRRESA-N
MW302.76 g/mol
LogP3.11
Rot. Bonds2

About methyl (2R,3S)-3-(4-chlorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate

methyl (2R,3S)-3-(4-chlorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 139236790) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is methyl (2R,3S)-3-(4-chlorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3S)-3-(4-chlorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID139236790
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Namemethyl (2R,3S)-3-(4-chlorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCOC(=O)[C@@H]1N=C2C=C(C)C=CN2[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O2/c1-10-7-8-19-13(9-10)18-14(16(20)21-2)15(19)11-3-5-12(17)6-4-11/h3-9,14-15H,1-2H3/t14-,15+/m1/s1
InChIKeyJDLLQTHIUPFEDJ-CABCVRRESA-N
XLogP3.11
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (2R,3S)-3-(4-chlorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate with MolForge

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Related Compounds

methyl (4S,5R)-4-(4-chlorophenyl)-3-(cyclopropylmethyl)-5-phenyl-4H-imidazole-5-carboxylate
CID 54766769
methyl (2R,3S)-6-chloro-3-(4-fluorophenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
CID 139236791
Ethyl 6-chloro-2-(4-fluorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylate
CID 67963133
ethyl (2R,3S)-3-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
CID 139236789
methyl (2R,3S)-6-bromo-3-(4-methylphenyl)-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
CID 139236793
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
ethyl (2R,3S)-3,5-diphenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
CID 139236797
ethyl (2R,3S)-3,7-diphenyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate
CID 139236798
Methyl 1-benzyl-4-(4-chlorophenyl)-5,5-dimethylimidazole-4-carboxylate
CID 102406238
methyl 5-butan-2-yl-4-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-3-cyclohexyl-4H-imidazole-5-carboxylate
CID 16657047

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S)-3-(4-chlorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of methyl (2R,3S)-3-(4-chlorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate (CID 139236790) is methyl (2R,3S)-3-(4-chlorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for methyl (2R,3S)-3-(4-chlorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for methyl (2R,3S)-3-(4-chlorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate is COC(=O)[C@@H]1N=C2C=C(C)C=CN2[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of methyl (2R,3S)-3-(4-chlorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is JDLLQTHIUPFEDJ-CABCVRRESA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-10-7-8-19-13(9-10)18-14(16(20)21-2)15(19)11-3-5-12(17)6-4-11/h3-9,14-15H,1-2H3/t14-,15+/m1/s1.
What are the key properties of methyl (2R,3S)-3-(4-chlorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate?
methyl (2R,3S)-3-(4-chlorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 302.76 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-3-(4-chlorophenyl)-7-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 139236790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).