methyl 3-[(3-chlorophenyl)methyl]-2-cyclohexylimidazo[1,2-a]pyridine-6-carboxylate

C22H23ClN2O2 — CID 51360003

IUPACmethyl 3-[(3-chlorophenyl)methyl]-2-cyclohexylimidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(C3CCCCC3)c(Cc3cccc(Cl)c3)n2c1
InChIInChI=1S/C22H23ClN2O2/c1-27-22(26)17-10-11-20-24-21(16-7-3-2-4-8-16)19(25(20)14-17)13-15-6-5-9-18(23)12-15/h5-6,9-12,14,16H,2-4,7-8,13H2,1H3
InChIKeyBGZURLLUEYMJKN-UHFFFAOYSA-N
MW382.89 g/mol
LogP5.41
Rot. Bonds4

About methyl 3-[(3-chlorophenyl)methyl]-2-cyclohexylimidazo[1,2-a]pyridine-6-carboxylate

methyl 3-[(3-chlorophenyl)methyl]-2-cyclohexylimidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 51360003) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is methyl 3-[(3-chlorophenyl)methyl]-2-cyclohexylimidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-chlorophenyl)methyl]-2-cyclohexylimidazo[1,2-a]pyridine-6-carboxylate
PubChem CID51360003
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC Namemethyl 3-[(3-chlorophenyl)methyl]-2-cyclohexylimidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(C3CCCCC3)c(Cc3cccc(Cl)c3)n2c1
InChIInChI=1S/C22H23ClN2O2/c1-27-22(26)17-10-11-20-24-21(16-7-3-2-4-8-16)19(25(20)14-17)13-15-6-5-9-18(23)12-15/h5-6,9-12,14,16H,2-4,7-8,13H2,1H3
InChIKeyBGZURLLUEYMJKN-UHFFFAOYSA-N
XLogP5.41
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.89
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-chlorophenyl)methyl]-2-cyclohexylimidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-[(3-chlorophenyl)methyl]-2-cyclohexylimidazo[1,2-a]pyridine-6-carboxylate (CID 51360003) is methyl 3-[(3-chlorophenyl)methyl]-2-cyclohexylimidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-[(3-chlorophenyl)methyl]-2-cyclohexylimidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-[(3-chlorophenyl)methyl]-2-cyclohexylimidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(C3CCCCC3)c(Cc3cccc(Cl)c3)n2c1.
What is the InChIKey of methyl 3-[(3-chlorophenyl)methyl]-2-cyclohexylimidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is BGZURLLUEYMJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c1-27-22(26)17-10-11-20-24-21(16-7-3-2-4-8-16)19(25(20)14-17)13-15-6-5-9-18(23)12-15/h5-6,9-12,14,16H,2-4,7-8,13H2,1H3.
What are the key properties of methyl 3-[(3-chlorophenyl)methyl]-2-cyclohexylimidazo[1,2-a]pyridine-6-carboxylate?
methyl 3-[(3-chlorophenyl)methyl]-2-cyclohexylimidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 382.89 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-chlorophenyl)methyl]-2-cyclohexylimidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 51360003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).