N-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide

C20H18F3N3O3 — CID 51361098

IUPACN-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2[nH]c(C(F)(F)F)nc2-c2ccccc2)cc1OC
InChIInChI=1S/C20H18F3N3O3/c1-28-14-9-8-12(10-15(14)29-2)11-24-18(27)17-16(13-6-4-3-5-7-13)25-19(26-17)20(21,22)23/h3-10H,11H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyDFWPFNJGPTVMIR-UHFFFAOYSA-N
MW405.38 g/mol
LogP4.04
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide (PubChem CID 51361098) has the molecular formula C20H18F3N3O3 and a molecular weight of 405.38 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
PubChem CID51361098
Molecular FormulaC20H18F3N3O3
Molecular Weight405.38 g/mol
Exact Mass405.13
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2[nH]c(C(F)(F)F)nc2-c2ccccc2)cc1OC
InChIInChI=1S/C20H18F3N3O3/c1-28-14-9-8-12(10-15(14)29-2)11-24-18(27)17-16(13-6-4-3-5-7-13)25-19(26-17)20(21,22)23/h3-10H,11H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyDFWPFNJGPTVMIR-UHFFFAOYSA-N
XLogP4.04
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide (CID 51361098) is N-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide is COc1ccc(CNC(=O)c2[nH]c(C(F)(F)F)nc2-c2ccccc2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The InChIKey is DFWPFNJGPTVMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O3/c1-28-14-9-8-12(10-15(14)29-2)11-24-18(27)17-16(13-6-4-3-5-7-13)25-19(26-17)20(21,22)23/h3-10H,11H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide has a molecular weight of 405.38 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 51361098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).