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

C23H26N2O2 — CID 51359035

IUPACmethyl 2-cyclohexyl-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(C3CCCCC3)c(Cc3ccc(C)cc3)n2c1
InChIInChI=1S/C23H26N2O2/c1-16-8-10-17(11-9-16)14-20-22(18-6-4-3-5-7-18)24-21-13-12-19(15-25(20)21)23(26)27-2/h8-13,15,18H,3-7,14H2,1-2H3
InChIKeyICBNTPCCVFWBIX-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.07
Rot. Bonds4

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

methyl 2-cyclohexyl-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 51359035) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is methyl 2-cyclohexyl-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-cyclohexyl-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID51359035
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Namemethyl 2-cyclohexyl-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(C3CCCCC3)c(Cc3ccc(C)cc3)n2c1
InChIInChI=1S/C23H26N2O2/c1-16-8-10-17(11-9-16)14-20-22(18-6-4-3-5-7-18)24-21-13-12-19(15-25(20)21)23(26)27-2/h8-13,15,18H,3-7,14H2,1-2H3
InChIKeyICBNTPCCVFWBIX-UHFFFAOYSA-N
XLogP5.07
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 ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclohexyl-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-cyclohexyl-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate (CID 51359035) is methyl 2-cyclohexyl-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-cyclohexyl-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-cyclohexyl-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(C3CCCCC3)c(Cc3ccc(C)cc3)n2c1.
What is the InChIKey of methyl 2-cyclohexyl-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is ICBNTPCCVFWBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-16-8-10-17(11-9-16)14-20-22(18-6-4-3-5-7-18)24-21-13-12-19(15-25(20)21)23(26)27-2/h8-13,15,18H,3-7,14H2,1-2H3.
What are the key properties of methyl 2-cyclohexyl-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-cyclohexyl-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclohexyl-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 51359035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).