2-(2-benzylphenoxy)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]acetamide

C23H20BrN3O2 — CID 55975996

IUPAC2-(2-benzylphenoxy)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]acetamide
SMILESO=C(COc1ccccc1Cc1ccccc1)NCc1cn2cc(Br)ccc2n1
InChIInChI=1S/C23H20BrN3O2/c24-19-10-11-22-26-20(15-27(22)14-19)13-25-23(28)16-29-21-9-5-4-8-18(21)12-17-6-2-1-3-7-17/h1-11,14-15H,12-13,16H2,(H,25,28)
InChIKeyVVJGPUSXGWUAEM-UHFFFAOYSA-N
MW450.34 g/mol
LogP4.38
Rot. Bonds7

About 2-(2-benzylphenoxy)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]acetamide

2-(2-benzylphenoxy)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]acetamide (PubChem CID 55975996) has the molecular formula C23H20BrN3O2 and a molecular weight of 450.34 g/mol. Its IUPAC name is 2-(2-benzylphenoxy)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-benzylphenoxy)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]acetamide
PubChem CID55975996
Molecular FormulaC23H20BrN3O2
Molecular Weight450.34 g/mol
Exact Mass449.07
IUPAC Name2-(2-benzylphenoxy)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]acetamide
SMILESO=C(COc1ccccc1Cc1ccccc1)NCc1cn2cc(Br)ccc2n1
InChIInChI=1S/C23H20BrN3O2/c24-19-10-11-22-26-20(15-27(22)14-19)13-25-23(28)16-29-21-9-5-4-8-18(21)12-17-6-2-1-3-7-17/h1-11,14-15H,12-13,16H2,(H,25,28)
InChIKeyVVJGPUSXGWUAEM-UHFFFAOYSA-N
XLogP4.38
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.34
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 60551625
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-chloro-4-fluorophenoxy)acetamide
CID 55976005
2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pentanamide
CID 47343482
2-(2-benzylphenoxy)-N-[[2-(ethoxymethyl)phenyl]methyl]acetamide
CID 55599195
2-(2-benzylphenoxy)-N-(2-methylpropyl)acetamide
CID 112779271
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5-triethoxybenzamide
CID 55976377
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 55806275
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55975870
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylguanidine
CID 111865712
3-amino-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride
CID 119860105
2-[2-[[2-(2-benzylphenoxy)acetyl]amino]ethylsulfanyl]acetic acid
CID 119242594

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylphenoxy)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]acetamide?
The IUPAC name of 2-(2-benzylphenoxy)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]acetamide (CID 55975996) is 2-(2-benzylphenoxy)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-benzylphenoxy)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2-benzylphenoxy)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]acetamide is O=C(COc1ccccc1Cc1ccccc1)NCc1cn2cc(Br)ccc2n1.
What is the InChIKey of 2-(2-benzylphenoxy)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]acetamide?
The InChIKey is VVJGPUSXGWUAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN3O2/c24-19-10-11-22-26-20(15-27(22)14-19)13-25-23(28)16-29-21-9-5-4-8-18(21)12-17-6-2-1-3-7-17/h1-11,14-15H,12-13,16H2,(H,25,28).
What are the key properties of 2-(2-benzylphenoxy)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]acetamide?
2-(2-benzylphenoxy)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]acetamide has a molecular weight of 450.34 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylphenoxy)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]acetamide is sourced from PubChem (CID 55975996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).