4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol

C21H19N3O2 — CID 858017

IUPAC4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol
SMILESCOc1ccc(CNc2c(-c3ccc(O)cc3)nc3ccccn23)cc1
InChIInChI=1S/C21H19N3O2/c1-26-18-11-5-15(6-12-18)14-22-21-20(16-7-9-17(25)10-8-16)23-19-4-2-3-13-24(19)21/h2-13,22,25H,14H2,1H3
InChIKeyIQUOBJFLKIBADE-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.33
Rot. Bonds5

About 4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol

4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol (PubChem CID 858017) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol.

Molecular Properties

Compound Name4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol
PubChem CID858017
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol
SMILESCOc1ccc(CNc2c(-c3ccc(O)cc3)nc3ccccn23)cc1
InChIInChI=1S/C21H19N3O2/c1-26-18-11-5-15(6-12-18)14-22-21-20(16-7-9-17(25)10-8-16)23-19-4-2-3-13-24(19)21/h2-13,22,25H,14H2,1H3
InChIKeyIQUOBJFLKIBADE-UHFFFAOYSA-N
XLogP4.33
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol?
The IUPAC name of 4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol (CID 858017) is 4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol.
What is the SMILES notation for 4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol?
The canonical SMILES for 4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol is COc1ccc(CNc2c(-c3ccc(O)cc3)nc3ccccn23)cc1.
What is the InChIKey of 4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol?
The InChIKey is IQUOBJFLKIBADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-26-18-11-5-15(6-12-18)14-22-21-20(16-7-9-17(25)10-8-16)23-19-4-2-3-13-24(19)21/h2-13,22,25H,14H2,1H3.
What are the key properties of 4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol?
4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol has a molecular weight of 345.40 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol is sourced from PubChem (CID 858017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).