N-(2-methoxyethyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclobutanecarboxamide

C20H24F3N3O2 — CID 46140653

IUPACN-(2-methoxyethyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclobutanecarboxamide
SMILESCOCCN(Cc1nccn1Cc1ccc(C(F)(F)F)cc1)C(=O)C1CCC1
InChIInChI=1S/C20H24F3N3O2/c1-28-12-11-26(19(27)16-3-2-4-16)14-18-24-9-10-25(18)13-15-5-7-17(8-6-15)20(21,22)23/h5-10,16H,2-4,11-14H2,1H3
InChIKeyZCRFYBARASYGPC-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.73
Rot. Bonds8

About N-(2-methoxyethyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclobutanecarboxamide

N-(2-methoxyethyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclobutanecarboxamide (PubChem CID 46140653) has the molecular formula C20H24F3N3O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclobutanecarboxamide
PubChem CID46140653
Molecular FormulaC20H24F3N3O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC NameN-(2-methoxyethyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclobutanecarboxamide
SMILESCOCCN(Cc1nccn1Cc1ccc(C(F)(F)F)cc1)C(=O)C1CCC1
InChIInChI=1S/C20H24F3N3O2/c1-28-12-11-26(19(27)16-3-2-4-16)14-18-24-9-10-25(18)13-15-5-7-17(8-6-15)20(21,22)23/h5-10,16H,2-4,11-14H2,1H3
InChIKeyZCRFYBARASYGPC-UHFFFAOYSA-N
XLogP3.73
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclobutanecarboxamide (CID 46140653) is N-(2-methoxyethyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclobutanecarboxamide is COCCN(Cc1nccn1Cc1ccc(C(F)(F)F)cc1)C(=O)C1CCC1.
What is the InChIKey of N-(2-methoxyethyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclobutanecarboxamide?
The InChIKey is ZCRFYBARASYGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O2/c1-28-12-11-26(19(27)16-3-2-4-16)14-18-24-9-10-25(18)13-15-5-7-17(8-6-15)20(21,22)23/h5-10,16H,2-4,11-14H2,1H3.
What are the key properties of N-(2-methoxyethyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclobutanecarboxamide?
N-(2-methoxyethyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclobutanecarboxamide has a molecular weight of 395.43 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 46140653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).