2-bromo-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;bis(2-[(4-chlorophenyl)methyl]-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide)

C80H66BrCl2N9O3 — CID 123829966

IUPAC2-bromo-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;bis(2-[(4-chlorophenyl)methyl]-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide)
SMILESCc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Br)c1.Cc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Cc2ccc(Cl)cc2)c1.Cc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/2C29H24ClN3O.C22H18BrN3O/c2*1-19-5-14-26(23(16-19)17-21-6-10-24(30)11-7-21)29(34)31-25-12-8-22(9-13-25)27-18-33-15-3-4-20(2)28(33)32-27;1-14-5-10-18(19(23)12-14)22(27)24-17-8-6-16(7-9-17)20-13-26-11-3-4-15(2)21(26)25-20/h2*3-16,18H,17H2,1-2H3,(H,31,34);3-13H,1-2H3,(H,24,27)
InChIKeyIEZCFGLQZOJTHX-UHFFFAOYSA-N
MW1352.28 g/mol
LogP19.86
Rot. Bonds13

About 2-bromo-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;bis(2-[(4-chlorophenyl)methyl]-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide)

2-bromo-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;bis(2-[(4-chlorophenyl)methyl]-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide) (PubChem CID 123829966) has the molecular formula C80H66BrCl2N9O3 and a molecular weight of 1352.28 g/mol. Its IUPAC name is 2-bromo-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;bis(2-[(4-chlorophenyl)methyl]-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide).

Molecular Properties

Compound Name2-bromo-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;bis(2-[(4-chlorophenyl)methyl]-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide)
PubChem CID123829966
Molecular FormulaC80H66BrCl2N9O3
Molecular Weight1352.28 g/mol
Exact Mass1349.38
IUPAC Name2-bromo-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;bis(2-[(4-chlorophenyl)methyl]-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide)
SMILESCc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Br)c1.Cc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Cc2ccc(Cl)cc2)c1.Cc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/2C29H24ClN3O.C22H18BrN3O/c2*1-19-5-14-26(23(16-19)17-21-6-10-24(30)11-7-21)29(34)31-25-12-8-22(9-13-25)27-18-33-15-3-4-20(2)28(33)32-27;1-14-5-10-18(19(23)12-14)22(27)24-17-8-6-16(7-9-17)20-13-26-11-3-4-15(2)21(26)25-20/h2*3-16,18H,17H2,1-2H3,(H,31,34);3-13H,1-2H3,(H,24,27)
InChIKeyIEZCFGLQZOJTHX-UHFFFAOYSA-N
XLogP19.86
TPSA139.20 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001352.28
LogP ≤ 519.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

2-bromo-N-[2-chloro-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide;N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-2-methyl-6-(trifluoromethyl)benzamide;tris(N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-4-methyl-2-(trifluoromethyl)benzamide);N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-5-methyl-2-(trifluoromethyl)benzamide
CID 157767144
5-[3-chloro-1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;bis(5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide)
CID 158296596
5-[3-(2-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide;5-[3-(2-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-3-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
CID 161015351
5-[3-chloro-1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
CID 161522491
2-[(4-chlorophenyl)methyl]-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 58236503
3-[3-[4-(aminomethyl)phenyl]-5-chloroimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;2-[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide;2-[4-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide
CID 89120690
4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(pyridin-4-ylmethyl)benzamide
CID 123290029
4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(pyridin-2-ylmethyl)benzamide
CID 123387373
4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 123548694
3-bromo-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide;bis(3-[(4-chlorophenyl)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide)
CID 123738111
benzene-1,2-diamine;2-bromo-3-chloropyridine;phenanthrene-9-carbaldehyde;2-phenanthren-9-yl-1H-benzimidazole;3,10,12-triazaheptacyclo[15.12.0.02,10.04,9.011,16.018,23.024,29]nonacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24,26,28-tetradecaene
CID 157517805
5-[8-[3-Chloro-4-(4-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[3-chloro-4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 157749394

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;bis(2-[(4-chlorophenyl)methyl]-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide)?
The IUPAC name of 2-bromo-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;bis(2-[(4-chlorophenyl)methyl]-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide) (CID 123829966) is 2-bromo-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;bis(2-[(4-chlorophenyl)methyl]-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide).
What is the SMILES notation for 2-bromo-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;bis(2-[(4-chlorophenyl)methyl]-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide)?
The canonical SMILES for 2-bromo-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;bis(2-[(4-chlorophenyl)methyl]-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide) is Cc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Br)c1.Cc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Cc2ccc(Cl)cc2)c1.Cc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-bromo-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;bis(2-[(4-chlorophenyl)methyl]-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide)?
The InChIKey is IEZCFGLQZOJTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H24ClN3O.C22H18BrN3O/c2*1-19-5-14-26(23(16-19)17-21-6-10-24(30)11-7-21)29(34)31-25-12-8-22(9-13-25)27-18-33-15-3-4-20(2)28(33)32-27;1-14-5-10-18(19(23)12-14)22(27)24-17-8-6-16(7-9-17)20-13-26-11-3-4-15(2)21(26)25-20/h2*3-16,18H,17H2,1-2H3,(H,31,34);3-13H,1-2H3,(H,24,27).
What are the key properties of 2-bromo-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;bis(2-[(4-chlorophenyl)methyl]-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide)?
2-bromo-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;bis(2-[(4-chlorophenyl)methyl]-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide) has a molecular weight of 1352.28 g/mol, XLogP of 19.86, 13 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;bis(2-[(4-chlorophenyl)methyl]-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide) is sourced from PubChem (CID 123829966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).