methyl 3-(cyclohexylmethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate

C23H26N2O2 — CID 51359376

IUPACmethyl 3-(cyclohexylmethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(C)cc3)c(CC3CCCCC3)n2c1
InChIInChI=1S/C23H26N2O2/c1-16-8-10-18(11-9-16)22-20(14-17-6-4-3-5-7-17)25-15-19(23(26)27-2)12-13-21(25)24-22/h8-13,15,17H,3-7,14H2,1-2H3
InChIKeyFFMLHSKGDXQWSR-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.22
Rot. Bonds4

About methyl 3-(cyclohexylmethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate

methyl 3-(cyclohexylmethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 51359376) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is methyl 3-(cyclohexylmethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(cyclohexylmethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID51359376
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Namemethyl 3-(cyclohexylmethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(C)cc3)c(CC3CCCCC3)n2c1
InChIInChI=1S/C23H26N2O2/c1-16-8-10-18(11-9-16)22-20(14-17-6-4-3-5-7-17)25-15-19(23(26)27-2)12-13-21(25)24-22/h8-13,15,17H,3-7,14H2,1-2H3
InChIKeyFFMLHSKGDXQWSR-UHFFFAOYSA-N
XLogP5.22
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclohexylmethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-(cyclohexylmethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate (CID 51359376) is methyl 3-(cyclohexylmethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-(cyclohexylmethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-(cyclohexylmethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3ccc(C)cc3)c(CC3CCCCC3)n2c1.
What is the InChIKey of methyl 3-(cyclohexylmethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is FFMLHSKGDXQWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-16-8-10-18(11-9-16)22-20(14-17-6-4-3-5-7-17)25-15-19(23(26)27-2)12-13-21(25)24-22/h8-13,15,17H,3-7,14H2,1-2H3.
What are the key properties of methyl 3-(cyclohexylmethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 3-(cyclohexylmethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclohexylmethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 51359376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).