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

C110H80F20N20O5 — CID 167557906

IUPACN-[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
SMILESCc1ccc(-c2cn3cc(F)cnc3n2)cc1NC(=O)c1c(C)cccc1C(F)(F)F.Cc1ccc(C(=O)Nc2cc(-c3cn4cc(F)cnc4n3)ccc2C)c(C(F)(F)F)c1.Cc1ccc(C(=O)Nc2cc(-c3cn4cc(F)cnc4n3)ccc2C)c(C(F)(F)F)c1.Cc1ccc(C(=O)Nc2cc(-c3cn4cc(F)cnc4n3)ccc2C)c(C(F)(F)F)c1.Cc1ccc(C(F)(F)F)c(C(=O)Nc2cc(-c3cn4cc(F)cnc4n3)ccc2C)c1
InChIInChI=1S/5C22H16F4N4O/c1-12-3-6-17(22(24,25)26)16(7-12)20(31)28-18-8-14(5-4-13(18)2)19-11-30-10-15(23)9-27-21(30)29-19;3*1-12-3-6-16(17(7-12)22(24,25)26)20(31)28-18-8-14(5-4-13(18)2)19-11-30-10-15(23)9-27-21(30)29-19;1-12-6-7-14(18-11-30-10-15(23)9-27-21(30)29-18)8-17(12)28-20(31)19-13(2)4-3-5-16(19)22(24,25)26/h5*3-11H,1-2H3,(H,28,31)
InChIKeyDGHCFFYBHQYXLO-UHFFFAOYSA-N
MW2141.94 g/mol
LogP27.12
Rot. Bonds15

About 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

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 (PubChem CID 167557906) has the molecular formula C110H80F20N20O5 and a molecular weight of 2141.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID167557906
Molecular FormulaC110H80F20N20O5
Molecular Weight2141.94 g/mol
Exact Mass2140.63
IUPAC NameN-[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
SMILESCc1ccc(-c2cn3cc(F)cnc3n2)cc1NC(=O)c1c(C)cccc1C(F)(F)F.Cc1ccc(C(=O)Nc2cc(-c3cn4cc(F)cnc4n3)ccc2C)c(C(F)(F)F)c1.Cc1ccc(C(=O)Nc2cc(-c3cn4cc(F)cnc4n3)ccc2C)c(C(F)(F)F)c1.Cc1ccc(C(=O)Nc2cc(-c3cn4cc(F)cnc4n3)ccc2C)c(C(F)(F)F)c1.Cc1ccc(C(F)(F)F)c(C(=O)Nc2cc(-c3cn4cc(F)cnc4n3)ccc2C)c1
InChIInChI=1S/5C22H16F4N4O/c1-12-3-6-17(22(24,25)26)16(7-12)20(31)28-18-8-14(5-4-13(18)2)19-11-30-10-15(23)9-27-21(30)29-19;3*1-12-3-6-16(17(7-12)22(24,25)26)20(31)28-18-8-14(5-4-13(18)2)19-11-30-10-15(23)9-27-21(30)29-19;1-12-6-7-14(18-11-30-10-15(23)9-27-21(30)29-18)8-17(12)28-20(31)19-13(2)4-3-5-16(19)22(24,25)26/h5*3-11H,1-2H3,(H,28,31)
InChIKeyDGHCFFYBHQYXLO-UHFFFAOYSA-N
XLogP27.12
TPSA296.45 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002141.94
LogP ≤ 527.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

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Related Compounds

N-(2,6-difluorophenyl)-3-[3-[2-[2-methyl-3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452564
N-(2,6-difluorophenyl)-3-[3-[2-[4-(4-piperidin-1-ylpiperidin-1-yl)-2-propylanilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452566
3-[3-(2-{[4-(1,4'-bipiperidin-1'-yl)-2-methylphenyl]amino}-4-pyrimidinyl)-imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamide
CID 59452662
N-(2,6-difluorophenyl)-3-[3-[2-[2-ethyl-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452965
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CID 71147563
N-[4-methyl-3-[[1-[6-[2-(4-methylpiperazin-1-yl)ethylamino]pyrimidin-4-yl]benzimidazol-2-yl]amino]phenyl]-3-(trifluoromethyl)benzamide
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3-[2-(3H-imidazo[4,5-c]pyridin-7-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
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CID 87761878
CID 87761878
N-[3-[2-[(dimethylamino)methyl]imidazol-1-yl]-5-(trifluoromethyl)phenyl]-3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylbenzamide
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3-[[6-(3,3-difluoropyrrolidin-1-yl)-1-[[2-[[6-(3,3-difluoropyrrolidin-1-yl)pyrimido[5,4-d]pyrimidin-4-yl]amino]-4-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]methyl]pyrimido[5,4-d]pyrimidin-1-ium-4-yl]amino]-4-methyl-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 167557906) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2cn3cc(F)cnc3n2)cc1NC(=O)c1c(C)cccc1C(F)(F)F.Cc1ccc(C(=O)Nc2cc(-c3cn4cc(F)cnc4n3)ccc2C)c(C(F)(F)F)c1.Cc1ccc(C(=O)Nc2cc(-c3cn4cc(F)cnc4n3)ccc2C)c(C(F)(F)F)c1.Cc1ccc(C(=O)Nc2cc(-c3cn4cc(F)cnc4n3)ccc2C)c(C(F)(F)F)c1.Cc1ccc(C(F)(F)F)c(C(=O)Nc2cc(-c3cn4cc(F)cnc4n3)ccc2C)c1.
What is the InChIKey of 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?
The InChIKey is DGHCFFYBHQYXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/5C22H16F4N4O/c1-12-3-6-17(22(24,25)26)16(7-12)20(31)28-18-8-14(5-4-13(18)2)19-11-30-10-15(23)9-27-21(30)29-19;3*1-12-3-6-16(17(7-12)22(24,25)26)20(31)28-18-8-14(5-4-13(18)2)19-11-30-10-15(23)9-27-21(30)29-19;1-12-6-7-14(18-11-30-10-15(23)9-27-21(30)29-18)8-17(12)28-20(31)19-13(2)4-3-5-16(19)22(24,25)26/h5*3-11H,1-2H3,(H,28,31).
What are the key properties of 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?
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 has a molecular weight of 2141.94 g/mol, XLogP of 27.12, 15 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167557906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).