methyl 3-benzyl-2-cyclohexylimidazo[1,2-a]pyridine-6-carboxylate

C22H24N2O2 — CID 51359031

IUPACmethyl 3-benzyl-2-cyclohexylimidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(C3CCCCC3)c(Cc3ccccc3)n2c1
InChIInChI=1S/C22H24N2O2/c1-26-22(25)18-12-13-20-23-21(17-10-6-3-7-11-17)19(24(20)15-18)14-16-8-4-2-5-9-16/h2,4-5,8-9,12-13,15,17H,3,6-7,10-11,14H2,1H3
InChIKeyLMDUDDZTJIBLLV-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.76
Rot. Bonds4

About methyl 3-benzyl-2-cyclohexylimidazo[1,2-a]pyridine-6-carboxylate

methyl 3-benzyl-2-cyclohexylimidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 51359031) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is methyl 3-benzyl-2-cyclohexylimidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-benzyl-2-cyclohexylimidazo[1,2-a]pyridine-6-carboxylate
PubChem CID51359031
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Namemethyl 3-benzyl-2-cyclohexylimidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(C3CCCCC3)c(Cc3ccccc3)n2c1
InChIInChI=1S/C22H24N2O2/c1-26-22(25)18-12-13-20-23-21(17-10-6-3-7-11-17)19(24(20)15-18)14-16-8-4-2-5-9-16/h2,4-5,8-9,12-13,15,17H,3,6-7,10-11,14H2,1H3
InChIKeyLMDUDDZTJIBLLV-UHFFFAOYSA-N
XLogP4.76
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-benzyl-2-cyclohexylimidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-benzyl-2-cyclohexylimidazo[1,2-a]pyridine-6-carboxylate (CID 51359031) is methyl 3-benzyl-2-cyclohexylimidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-benzyl-2-cyclohexylimidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-benzyl-2-cyclohexylimidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(C3CCCCC3)c(Cc3ccccc3)n2c1.
What is the InChIKey of methyl 3-benzyl-2-cyclohexylimidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is LMDUDDZTJIBLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-26-22(25)18-12-13-20-23-21(17-10-6-3-7-11-17)19(24(20)15-18)14-16-8-4-2-5-9-16/h2,4-5,8-9,12-13,15,17H,3,6-7,10-11,14H2,1H3.
What are the key properties of methyl 3-benzyl-2-cyclohexylimidazo[1,2-a]pyridine-6-carboxylate?
methyl 3-benzyl-2-cyclohexylimidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 348.45 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-benzyl-2-cyclohexylimidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 51359031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).