3-bromoimidazo[1,2-a]pyridine;1-chloro-3-(3,4-dimethylphenyl)propan-2-one;N-(3,4-dimethylphenyl)-2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)acetamide;(4-hydroxyphenyl)boronic acid;4-imidazo[1,2-a]pyridin-3-ylphenol

C60H56BBrClN7O7 — CID 158418009

IUPAC3-bromoimidazo[1,2-a]pyridine;1-chloro-3-(3,4-dimethylphenyl)propan-2-one;N-(3,4-dimethylphenyl)-2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)acetamide;(4-hydroxyphenyl)boronic acid;4-imidazo[1,2-a]pyridin-3-ylphenol
SMILESBrc1cnc2ccccn12.Cc1ccc(CC(=O)CCl)cc1C.Cc1ccc(NC(=O)COc2ccc(-c3cnc4ccccn34)cc2)cc1C.OB(O)c1ccc(O)cc1.Oc1ccc(-c2cnc3ccccn23)cc1
InChIInChI=1S/C23H21N3O2.C13H10N2O.C11H13ClO.C7H5BrN2.C6H7BO3/c1-16-6-9-19(13-17(16)2)25-23(27)15-28-20-10-7-18(8-11-20)21-14-24-22-5-3-4-12-26(21)22;16-11-6-4-10(5-7-11)12-9-14-13-3-1-2-8-15(12)13;1-8-3-4-10(5-9(8)2)6-11(13)7-12;8-6-5-9-7-3-1-2-4-10(6)7;8-6-3-1-5(2-4-6)7(9)10/h3-14H,15H2,1-2H3,(H,25,27);1-9,16H;3-5H,6-7H2,1-2H3;1-5H;1-4,8-10H
InChIKeyHADHYCUASTYWTE-UHFFFAOYSA-N
MW1113.32 g/mol
LogP11.17
Rot. Bonds10

About 3-bromoimidazo[1,2-a]pyridine;1-chloro-3-(3,4-dimethylphenyl)propan-2-one;N-(3,4-dimethylphenyl)-2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)acetamide;(4-hydroxyphenyl)boronic acid;4-imidazo[1,2-a]pyridin-3-ylphenol

3-bromoimidazo[1,2-a]pyridine;1-chloro-3-(3,4-dimethylphenyl)propan-2-one;N-(3,4-dimethylphenyl)-2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)acetamide;(4-hydroxyphenyl)boronic acid;4-imidazo[1,2-a]pyridin-3-ylphenol (PubChem CID 158418009) has the molecular formula C60H56BBrClN7O7 and a molecular weight of 1113.32 g/mol. Its IUPAC name is 3-bromoimidazo[1,2-a]pyridine;1-chloro-3-(3,4-dimethylphenyl)propan-2-one;N-(3,4-dimethylphenyl)-2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)acetamide;(4-hydroxyphenyl)boronic acid;4-imidazo[1,2-a]pyridin-3-ylphenol.

Molecular Properties

Compound Name3-bromoimidazo[1,2-a]pyridine;1-chloro-3-(3,4-dimethylphenyl)propan-2-one;N-(3,4-dimethylphenyl)-2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)acetamide;(4-hydroxyphenyl)boronic acid;4-imidazo[1,2-a]pyridin-3-ylphenol
PubChem CID158418009
Molecular FormulaC60H56BBrClN7O7
Molecular Weight1113.32 g/mol
Exact Mass1111.32
IUPAC Name3-bromoimidazo[1,2-a]pyridine;1-chloro-3-(3,4-dimethylphenyl)propan-2-one;N-(3,4-dimethylphenyl)-2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)acetamide;(4-hydroxyphenyl)boronic acid;4-imidazo[1,2-a]pyridin-3-ylphenol
SMILESBrc1cnc2ccccn12.Cc1ccc(CC(=O)CCl)cc1C.Cc1ccc(NC(=O)COc2ccc(-c3cnc4ccccn34)cc2)cc1C.OB(O)c1ccc(O)cc1.Oc1ccc(-c2cnc3ccccn23)cc1
InChIInChI=1S/C23H21N3O2.C13H10N2O.C11H13ClO.C7H5BrN2.C6H7BO3/c1-16-6-9-19(13-17(16)2)25-23(27)15-28-20-10-7-18(8-11-20)21-14-24-22-5-3-4-12-26(21)22;16-11-6-4-10(5-7-11)12-9-14-13-3-1-2-8-15(12)13;1-8-3-4-10(5-9(8)2)6-11(13)7-12;8-6-5-9-7-3-1-2-4-10(6)7;8-6-3-1-5(2-4-6)7(9)10/h3-14H,15H2,1-2H3,(H,25,27);1-9,16H;3-5H,6-7H2,1-2H3;1-5H;1-4,8-10H
InChIKeyHADHYCUASTYWTE-UHFFFAOYSA-N
XLogP11.17
TPSA188.22 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001113.32
LogP ≤ 511.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethylphenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 1132550
2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3,4-dimethylphenyl)benzamide
CID 4944441
2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 4947508
2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide
CID 71095079
2-(4-methoxyphenoxy)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 50802117
2-[4-[(2-chloroanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126274200
N,2-bis(3,4-dimethylphenyl)acetamide
CID 2600237
N-(3-bromo-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 112977351
N-(3-acetamido-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 54777061
N-(3,4-dimethylphenyl)-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237785
methyl 2-[4-[2-(4-bromo-3-methylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695168
2-(4-cyanophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 8744068

Frequently Asked Questions

What is the IUPAC name of 3-bromoimidazo[1,2-a]pyridine;1-chloro-3-(3,4-dimethylphenyl)propan-2-one;N-(3,4-dimethylphenyl)-2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)acetamide;(4-hydroxyphenyl)boronic acid;4-imidazo[1,2-a]pyridin-3-ylphenol?
The IUPAC name of 3-bromoimidazo[1,2-a]pyridine;1-chloro-3-(3,4-dimethylphenyl)propan-2-one;N-(3,4-dimethylphenyl)-2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)acetamide;(4-hydroxyphenyl)boronic acid;4-imidazo[1,2-a]pyridin-3-ylphenol (CID 158418009) is 3-bromoimidazo[1,2-a]pyridine;1-chloro-3-(3,4-dimethylphenyl)propan-2-one;N-(3,4-dimethylphenyl)-2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)acetamide;(4-hydroxyphenyl)boronic acid;4-imidazo[1,2-a]pyridin-3-ylphenol.
What is the SMILES notation for 3-bromoimidazo[1,2-a]pyridine;1-chloro-3-(3,4-dimethylphenyl)propan-2-one;N-(3,4-dimethylphenyl)-2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)acetamide;(4-hydroxyphenyl)boronic acid;4-imidazo[1,2-a]pyridin-3-ylphenol?
The canonical SMILES for 3-bromoimidazo[1,2-a]pyridine;1-chloro-3-(3,4-dimethylphenyl)propan-2-one;N-(3,4-dimethylphenyl)-2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)acetamide;(4-hydroxyphenyl)boronic acid;4-imidazo[1,2-a]pyridin-3-ylphenol is Brc1cnc2ccccn12.Cc1ccc(CC(=O)CCl)cc1C.Cc1ccc(NC(=O)COc2ccc(-c3cnc4ccccn34)cc2)cc1C.OB(O)c1ccc(O)cc1.Oc1ccc(-c2cnc3ccccn23)cc1.
What is the InChIKey of 3-bromoimidazo[1,2-a]pyridine;1-chloro-3-(3,4-dimethylphenyl)propan-2-one;N-(3,4-dimethylphenyl)-2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)acetamide;(4-hydroxyphenyl)boronic acid;4-imidazo[1,2-a]pyridin-3-ylphenol?
The InChIKey is HADHYCUASTYWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2.C13H10N2O.C11H13ClO.C7H5BrN2.C6H7BO3/c1-16-6-9-19(13-17(16)2)25-23(27)15-28-20-10-7-18(8-11-20)21-14-24-22-5-3-4-12-26(21)22;16-11-6-4-10(5-7-11)12-9-14-13-3-1-2-8-15(12)13;1-8-3-4-10(5-9(8)2)6-11(13)7-12;8-6-5-9-7-3-1-2-4-10(6)7;8-6-3-1-5(2-4-6)7(9)10/h3-14H,15H2,1-2H3,(H,25,27);1-9,16H;3-5H,6-7H2,1-2H3;1-5H;1-4,8-10H.
What are the key properties of 3-bromoimidazo[1,2-a]pyridine;1-chloro-3-(3,4-dimethylphenyl)propan-2-one;N-(3,4-dimethylphenyl)-2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)acetamide;(4-hydroxyphenyl)boronic acid;4-imidazo[1,2-a]pyridin-3-ylphenol?
3-bromoimidazo[1,2-a]pyridine;1-chloro-3-(3,4-dimethylphenyl)propan-2-one;N-(3,4-dimethylphenyl)-2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)acetamide;(4-hydroxyphenyl)boronic acid;4-imidazo[1,2-a]pyridin-3-ylphenol has a molecular weight of 1113.32 g/mol, XLogP of 11.17, 10 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromoimidazo[1,2-a]pyridine;1-chloro-3-(3,4-dimethylphenyl)propan-2-one;N-(3,4-dimethylphenyl)-2-(4-imidazo[1,2-a]pyridin-3-ylphenoxy)acetamide;(4-hydroxyphenyl)boronic acid;4-imidazo[1,2-a]pyridin-3-ylphenol is sourced from PubChem (CID 158418009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).