N-(2-methoxyethyl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide

C14H14F3N3O2 — CID 51361093

IUPACN-(2-methoxyethyl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
SMILESCOCCNC(=O)c1[nH]c(C(F)(F)F)nc1-c1ccccc1
InChIInChI=1S/C14H14F3N3O2/c1-22-8-7-18-12(21)11-10(9-5-3-2-4-6-9)19-13(20-11)14(15,16)17/h2-6H,7-8H2,1H3,(H,18,21)(H,19,20)
InChIKeyGQLSERZGOULKKT-UHFFFAOYSA-N
MW313.28 g/mol
LogP2.47
Rot. Bonds5

About N-(2-methoxyethyl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide

N-(2-methoxyethyl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide (PubChem CID 51361093) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
PubChem CID51361093
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC NameN-(2-methoxyethyl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
SMILESCOCCNC(=O)c1[nH]c(C(F)(F)F)nc1-c1ccccc1
InChIInChI=1S/C14H14F3N3O2/c1-22-8-7-18-12(21)11-10(9-5-3-2-4-6-9)19-13(20-11)14(15,16)17/h2-6H,7-8H2,1H3,(H,18,21)(H,19,20)
InChIKeyGQLSERZGOULKKT-UHFFFAOYSA-N
XLogP2.47
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide (CID 51361093) is N-(2-methoxyethyl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide is COCCNC(=O)c1[nH]c(C(F)(F)F)nc1-c1ccccc1.
What is the InChIKey of N-(2-methoxyethyl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
The InChIKey is GQLSERZGOULKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-22-8-7-18-12(21)11-10(9-5-3-2-4-6-9)19-13(20-11)14(15,16)17/h2-6H,7-8H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-(2-methoxyethyl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide?
N-(2-methoxyethyl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide has a molecular weight of 313.28 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 51361093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).