N-[(2,6-dichlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide

C45H44Cl2F6N6O6 — CID 167646243

IUPACN-[(2,6-dichlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide
SMILESCc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cncn1C.Cn1cncc1C(=O)N(Cc1c(Cl)cccc1Cl)CC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H24F3N3O3.C22H20Cl2F3N3O3/c1-16-5-3-4-6-17(16)12-29(22(31)21-11-27-15-28(21)2)13-19(30)14-32-20-9-7-18(8-10-20)23(24,25)26;1-29-13-28-9-20(29)21(32)30(11-17-18(23)3-2-4-19(17)24)10-15(31)12-33-16-7-5-14(6-8-16)22(25,26)27/h3-11,15,19,30H,12-14H2,1-2H3;2-9,13,15,31H,10-12H2,1H3
InChIKeyPXHRABPWDSOCDT-UHFFFAOYSA-N
MW949.78 g/mol
LogP8.66
Rot. Bonds16

About N-[(2,6-dichlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide

N-[(2,6-dichlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide (PubChem CID 167646243) has the molecular formula C45H44Cl2F6N6O6 and a molecular weight of 949.78 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide
PubChem CID167646243
Molecular FormulaC45H44Cl2F6N6O6
Molecular Weight949.78 g/mol
Exact Mass948.26
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide
SMILESCc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cncn1C.Cn1cncc1C(=O)N(Cc1c(Cl)cccc1Cl)CC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H24F3N3O3.C22H20Cl2F3N3O3/c1-16-5-3-4-6-17(16)12-29(22(31)21-11-27-15-28(21)2)13-19(30)14-32-20-9-7-18(8-10-20)23(24,25)26;1-29-13-28-9-20(29)21(32)30(11-17-18(23)3-2-4-19(17)24)10-15(31)12-33-16-7-5-14(6-8-16)22(25,26)27/h3-11,15,19,30H,12-14H2,1-2H3;2-9,13,15,31H,10-12H2,1H3
InChIKeyPXHRABPWDSOCDT-UHFFFAOYSA-N
XLogP8.66
TPSA135.18 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.78
LogP ≤ 58.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[(2,6-dichlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide with MolForge

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Related Compounds

N-[[3-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
CID 66775400
N-[(2,6-dichlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide
CID 156166815
N-[(2-fluorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide
CID 156166889
N-[(2-chlorophenyl)methyl]-3-methyl-N-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide
CID 156166924
N-[(2-chlorophenyl)methyl]-N-[2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide
CID 156166947
N-[(2-chlorophenyl)methyl]-3-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]imidazole-4-carboxamide
CID 156166969
N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide
CID 156167002
N-[(2-chlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide
CID 156167017
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
CID 156167073
N-[(2-chlorophenyl)methyl]-N-[3-(2,4-difluorophenoxy)-2-hydroxypropyl]-3-methylimidazole-4-carboxamide
CID 156167084
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide
CID 166010532
N-[(2,4-dichloro-3-pyridinyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide
CID 166010536

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide (CID 167646243) is N-[(2,6-dichlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide is Cc1ccccc1CN(CC(O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cncn1C.Cn1cncc1C(=O)N(Cc1c(Cl)cccc1Cl)CC(O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide?
The InChIKey is PXHRABPWDSOCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O3.C22H20Cl2F3N3O3/c1-16-5-3-4-6-17(16)12-29(22(31)21-11-27-15-28(21)2)13-19(30)14-32-20-9-7-18(8-10-20)23(24,25)26;1-29-13-28-9-20(29)21(32)30(11-17-18(23)3-2-4-19(17)24)10-15(31)12-33-16-7-5-14(6-8-16)22(25,26)27/h3-11,15,19,30H,12-14H2,1-2H3;2-9,13,15,31H,10-12H2,1H3.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide?
N-[(2,6-dichlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide has a molecular weight of 949.78 g/mol, XLogP of 8.66, 16 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methylimidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 167646243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).