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

C24H22N2O2 — CID 53299415

IUPACmethyl 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(C)cc3)c(Cc3ccc(C)cc3)n2c1
InChIInChI=1S/C24H22N2O2/c1-16-4-8-18(9-5-16)14-21-23(19-10-6-17(2)7-11-19)25-22-13-12-20(15-26(21)22)24(27)28-3/h4-13,15H,14H2,1-3H3
InChIKeySZXAGUHUWXBSAD-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.00
Rot. Bonds4

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

methyl 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 53299415) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is methyl 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID53299415
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Namemethyl 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(C)cc3)c(Cc3ccc(C)cc3)n2c1
InChIInChI=1S/C24H22N2O2/c1-16-4-8-18(9-5-16)14-21-23(19-10-6-17(2)7-11-19)25-22-13-12-20(15-26(21)22)24(27)28-3/h4-13,15H,14H2,1-3H3
InChIKeySZXAGUHUWXBSAD-UHFFFAOYSA-N
XLogP5.00
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate (CID 53299415) is methyl 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3ccc(C)cc3)c(Cc3ccc(C)cc3)n2c1.
What is the InChIKey of methyl 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is SZXAGUHUWXBSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-16-4-8-18(9-5-16)14-21-23(19-10-6-17(2)7-11-19)25-22-13-12-20(15-26(21)22)24(27)28-3/h4-13,15H,14H2,1-3H3.
What are the key properties of methyl 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 370.45 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 53299415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).