N-[(5-bromo-2-methoxyphenyl)methyl]-4-imidazo[4,5-b]pyridin-3-ylbenzamide

C21H17BrN4O2 — CID 20916026

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-4-imidazo[4,5-b]pyridin-3-ylbenzamide
SMILESCOc1ccc(Br)cc1CNC(=O)c1ccc(-n2cnc3cccnc32)cc1
InChIInChI=1S/C21H17BrN4O2/c1-28-19-9-6-16(22)11-15(19)12-24-21(27)14-4-7-17(8-5-14)26-13-25-18-3-2-10-23-20(18)26/h2-11,13H,12H2,1H3,(H,24,27)
InChIKeyBWBCAHFFOJGURU-UHFFFAOYSA-N
MW437.30 g/mol
LogP4.12
Rot. Bonds5

About N-[(5-bromo-2-methoxyphenyl)methyl]-4-imidazo[4,5-b]pyridin-3-ylbenzamide

N-[(5-bromo-2-methoxyphenyl)methyl]-4-imidazo[4,5-b]pyridin-3-ylbenzamide (PubChem CID 20916026) has the molecular formula C21H17BrN4O2 and a molecular weight of 437.30 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-4-imidazo[4,5-b]pyridin-3-ylbenzamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-4-imidazo[4,5-b]pyridin-3-ylbenzamide
PubChem CID20916026
Molecular FormulaC21H17BrN4O2
Molecular Weight437.30 g/mol
Exact Mass436.05
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-4-imidazo[4,5-b]pyridin-3-ylbenzamide
SMILESCOc1ccc(Br)cc1CNC(=O)c1ccc(-n2cnc3cccnc32)cc1
InChIInChI=1S/C21H17BrN4O2/c1-28-19-9-6-16(22)11-15(19)12-24-21(27)14-4-7-17(8-5-14)26-13-25-18-3-2-10-23-20(18)26/h2-11,13H,12H2,1H3,(H,24,27)
InChIKeyBWBCAHFFOJGURU-UHFFFAOYSA-N
XLogP4.12
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.30
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]benzamide
CID 49172987
4-(4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 24512913
N-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 20888209
N-[(5-bromo-2-methoxyphenyl)methyl]-1H-indazole-6-carboxamide
CID 46341642
2-bromo-1-(4-imidazo[4,5-b]pyridin-3-ylphenyl)ethanone;hydrobromide
CID 162335938
N-(4-ethylphenyl)-4-imidazo[4,5-b]pyridin-3-ylbenzamide
CID 46277196
N-[(2,5-dimethoxyphenyl)methyl]-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393771
N-[(2,5-dimethoxyphenyl)methyl]-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393807
methyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate
CID 110780679
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393870
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-4-(benzimidazol-1-yl)benzamide
CID 55866271
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-4-imidazo[4,5-b]pyridin-3-ylbenzamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-4-imidazo[4,5-b]pyridin-3-ylbenzamide (CID 20916026) is N-[(5-bromo-2-methoxyphenyl)methyl]-4-imidazo[4,5-b]pyridin-3-ylbenzamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-4-imidazo[4,5-b]pyridin-3-ylbenzamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-4-imidazo[4,5-b]pyridin-3-ylbenzamide is COc1ccc(Br)cc1CNC(=O)c1ccc(-n2cnc3cccnc32)cc1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-4-imidazo[4,5-b]pyridin-3-ylbenzamide?
The InChIKey is BWBCAHFFOJGURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN4O2/c1-28-19-9-6-16(22)11-15(19)12-24-21(27)14-4-7-17(8-5-14)26-13-25-18-3-2-10-23-20(18)26/h2-11,13H,12H2,1H3,(H,24,27).
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-4-imidazo[4,5-b]pyridin-3-ylbenzamide?
N-[(5-bromo-2-methoxyphenyl)methyl]-4-imidazo[4,5-b]pyridin-3-ylbenzamide has a molecular weight of 437.30 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-4-imidazo[4,5-b]pyridin-3-ylbenzamide is sourced from PubChem (CID 20916026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).