N-ethyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide

C18H20F3N3O — CID 42820525

IUPACN-ethyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide
SMILESCCN(Cc1nccn1Cc1ccc(C(F)(F)F)cc1)C(=O)C1CC1
InChIInChI=1S/C18H20F3N3O/c1-2-23(17(25)14-5-6-14)12-16-22-9-10-24(16)11-13-3-7-15(8-4-13)18(19,20)21/h3-4,7-10,14H,2,5-6,11-12H2,1H3
InChIKeyUOGFGTBZPRIKBF-UHFFFAOYSA-N
MW351.37 g/mol
LogP3.71
Rot. Bonds6

About N-ethyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide

N-ethyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide (PubChem CID 42820525) has the molecular formula C18H20F3N3O and a molecular weight of 351.37 g/mol. Its IUPAC name is N-ethyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-ethyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide
PubChem CID42820525
Molecular FormulaC18H20F3N3O
Molecular Weight351.37 g/mol
Exact Mass351.16
IUPAC NameN-ethyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide
SMILESCCN(Cc1nccn1Cc1ccc(C(F)(F)F)cc1)C(=O)C1CC1
InChIInChI=1S/C18H20F3N3O/c1-2-23(17(25)14-5-6-14)12-16-22-9-10-24(16)11-13-3-7-15(8-4-13)18(19,20)21/h3-4,7-10,14H,2,5-6,11-12H2,1H3
InChIKeyUOGFGTBZPRIKBF-UHFFFAOYSA-N
XLogP3.71
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide
CID 42820515
N-(2-methoxyethyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclobutanecarboxamide
CID 46140653
N-cyclopropyl-4-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
CID 42820527
N-[(1-benzylimidazol-2-yl)methyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide
CID 42818873
N-ethyl-4-fluoro-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]benzamide
CID 42819344
N-[[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylcyclopropanecarboxamide
CID 42819519
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
CID 42819048
2-[2-[2-[[cyclobutanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 70902048
N-(2-methoxyethyl)-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide
CID 42819440
2-[7-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]pyrrolo[1,2-c]pyrimidin-5-yl]acetic acid
CID 71222500
1-[6-(benzylamino)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-2-yl]-N,N-diethylpiperidine-3-carboxamide
CID 117082323
2-[5-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-6-methoxy-3-pyridinyl]acetic acid
CID 45138482

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-ethyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide (CID 42820525) is N-ethyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-ethyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-ethyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide is CCN(Cc1nccn1Cc1ccc(C(F)(F)F)cc1)C(=O)C1CC1.
What is the InChIKey of N-ethyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide?
The InChIKey is UOGFGTBZPRIKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O/c1-2-23(17(25)14-5-6-14)12-16-22-9-10-24(16)11-13-3-7-15(8-4-13)18(19,20)21/h3-4,7-10,14H,2,5-6,11-12H2,1H3.
What are the key properties of N-ethyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide?
N-ethyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide has a molecular weight of 351.37 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 42820525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).