methyl 4-(3-anilinoimidazo[1,2-a]pyridin-2-yl)benzoate

C21H17N3O2 — CID 164601102

IUPACmethyl 4-(3-anilinoimidazo[1,2-a]pyridin-2-yl)benzoate
SMILESCOC(=O)c1ccc(-c2nc3ccccn3c2Nc2ccccc2)cc1
InChIInChI=1S/C21H17N3O2/c1-26-21(25)16-12-10-15(11-13-16)19-20(22-17-7-3-2-4-8-17)24-14-6-5-9-18(24)23-19/h2-14,22H,1H3
InChIKeyLHUJHQGGZWCBNV-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.53
Rot. Bonds4

About methyl 4-(3-anilinoimidazo[1,2-a]pyridin-2-yl)benzoate

methyl 4-(3-anilinoimidazo[1,2-a]pyridin-2-yl)benzoate (PubChem CID 164601102) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is methyl 4-(3-anilinoimidazo[1,2-a]pyridin-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(3-anilinoimidazo[1,2-a]pyridin-2-yl)benzoate
PubChem CID164601102
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Namemethyl 4-(3-anilinoimidazo[1,2-a]pyridin-2-yl)benzoate
SMILESCOC(=O)c1ccc(-c2nc3ccccn3c2Nc2ccccc2)cc1
InChIInChI=1S/C21H17N3O2/c1-26-21(25)16-12-10-15(11-13-16)19-20(22-17-7-3-2-4-8-17)24-14-6-5-9-18(24)23-19/h2-14,22H,1H3
InChIKeyLHUJHQGGZWCBNV-UHFFFAOYSA-N
XLogP4.53
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-anilinoimidazo[1,2-a]pyridin-2-yl)benzoate?
The IUPAC name of methyl 4-(3-anilinoimidazo[1,2-a]pyridin-2-yl)benzoate (CID 164601102) is methyl 4-(3-anilinoimidazo[1,2-a]pyridin-2-yl)benzoate.
What is the SMILES notation for methyl 4-(3-anilinoimidazo[1,2-a]pyridin-2-yl)benzoate?
The canonical SMILES for methyl 4-(3-anilinoimidazo[1,2-a]pyridin-2-yl)benzoate is COC(=O)c1ccc(-c2nc3ccccn3c2Nc2ccccc2)cc1.
What is the InChIKey of methyl 4-(3-anilinoimidazo[1,2-a]pyridin-2-yl)benzoate?
The InChIKey is LHUJHQGGZWCBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-26-21(25)16-12-10-15(11-13-16)19-20(22-17-7-3-2-4-8-17)24-14-6-5-9-18(24)23-19/h2-14,22H,1H3.
What are the key properties of methyl 4-(3-anilinoimidazo[1,2-a]pyridin-2-yl)benzoate?
methyl 4-(3-anilinoimidazo[1,2-a]pyridin-2-yl)benzoate has a molecular weight of 343.39 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-anilinoimidazo[1,2-a]pyridin-2-yl)benzoate is sourced from PubChem (CID 164601102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).