2-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide

C15H14F3N3O — CID 71853620

IUPAC2-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
SMILESNC(=O)c1cn(Cc2cccc(C(F)(F)F)c2)c(C2CC2)n1
InChIInChI=1S/C15H14F3N3O/c16-15(17,18)11-3-1-2-9(6-11)7-21-8-12(13(19)22)20-14(21)10-4-5-10/h1-3,6,8,10H,4-5,7H2,(H2,19,22)
InChIKeyPPGAJFHWUXMYGN-UHFFFAOYSA-N
MW309.29 g/mol
LogP2.93
Rot. Bonds4

About 2-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide

2-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide (PubChem CID 71853620) has the molecular formula C15H14F3N3O and a molecular weight of 309.29 g/mol. Its IUPAC name is 2-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
PubChem CID71853620
Molecular FormulaC15H14F3N3O
Molecular Weight309.29 g/mol
Exact Mass309.11
IUPAC Name2-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
SMILESNC(=O)c1cn(Cc2cccc(C(F)(F)F)c2)c(C2CC2)n1
InChIInChI=1S/C15H14F3N3O/c16-15(17,18)11-3-1-2-9(6-11)7-21-8-12(13(19)22)20-14(21)10-4-5-10/h1-3,6,8,10H,4-5,7H2,(H2,19,22)
InChIKeyPPGAJFHWUXMYGN-UHFFFAOYSA-N
XLogP2.93
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 18093901
(1S,4R)-2-[[3-(trifluoromethyl)phenyl]methyl]-2-azabicyclo[2.2.1]heptan-3-one
CID 72852920
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 30980962
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 78831339
5-chloro-2-imino-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 59151603
2-[(2R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]acetamide
CID 52813145
2-[[3-(trifluoromethyl)phenyl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 176730709
1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylic acid
CID 86277033
1-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 78768057
azepan-1-yl-[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methanone
CID 42189413
6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide
CID 160837474
5-pyrrolidin-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 114716457

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide?
The IUPAC name of 2-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide (CID 71853620) is 2-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide is NC(=O)c1cn(Cc2cccc(C(F)(F)F)c2)c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide?
The InChIKey is PPGAJFHWUXMYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O/c16-15(17,18)11-3-1-2-9(6-11)7-21-8-12(13(19)22)20-14(21)10-4-5-10/h1-3,6,8,10H,4-5,7H2,(H2,19,22).
What are the key properties of 2-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide?
2-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide has a molecular weight of 309.29 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 71853620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).