methyl 4-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzoate

C21H16N2O2 — CID 155559723

IUPACmethyl 4-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzoate
SMILESCOC(=O)c1ccc(-c2ccc3nc(-c4ccccc4)cn3c2)cc1
InChIInChI=1S/C21H16N2O2/c1-25-21(24)17-9-7-15(8-10-17)18-11-12-20-22-19(14-23(20)13-18)16-5-3-2-4-6-16/h2-14H,1H3
InChIKeyDOWBWDFYBJXHFI-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.45
Rot. Bonds3

About methyl 4-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzoate

methyl 4-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzoate (PubChem CID 155559723) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is methyl 4-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzoate
PubChem CID155559723
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Namemethyl 4-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzoate
SMILESCOC(=O)c1ccc(-c2ccc3nc(-c4ccccc4)cn3c2)cc1
InChIInChI=1S/C21H16N2O2/c1-25-21(24)17-9-7-15(8-10-17)18-11-12-20-22-19(14-23(20)13-18)16-5-3-2-4-6-16/h2-14H,1H3
InChIKeyDOWBWDFYBJXHFI-UHFFFAOYSA-N
XLogP4.45
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzoate?
The IUPAC name of methyl 4-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzoate (CID 155559723) is methyl 4-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzoate.
What is the SMILES notation for methyl 4-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzoate?
The canonical SMILES for methyl 4-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzoate is COC(=O)c1ccc(-c2ccc3nc(-c4ccccc4)cn3c2)cc1.
What is the InChIKey of methyl 4-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzoate?
The InChIKey is DOWBWDFYBJXHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c1-25-21(24)17-9-7-15(8-10-17)18-11-12-20-22-19(14-23(20)13-18)16-5-3-2-4-6-16/h2-14H,1H3.
What are the key properties of methyl 4-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzoate?
methyl 4-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzoate has a molecular weight of 328.37 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzoate is sourced from PubChem (CID 155559723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).