N-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazole-1-carboxamide

C13H12F3N3O — CID 81258195

IUPACN-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazole-1-carboxamide
SMILESCC(NC(=O)n1ccnc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H12F3N3O/c1-9(18-12(20)19-7-6-17-8-19)10-2-4-11(5-3-10)13(14,15)16/h2-9H,1H3,(H,18,20)
InChIKeyIAENNMADIFPUAV-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.22
Rot. Bonds2

About N-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazole-1-carboxamide

N-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazole-1-carboxamide (PubChem CID 81258195) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is N-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazole-1-carboxamide
PubChem CID81258195
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC NameN-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazole-1-carboxamide
SMILESCC(NC(=O)n1ccnc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H12F3N3O/c1-9(18-12(20)19-7-6-17-8-19)10-2-4-11(5-3-10)13(14,15)16/h2-9H,1H3,(H,18,20)
InChIKeyIAENNMADIFPUAV-UHFFFAOYSA-N
XLogP3.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-tert-butylphenyl)ethyl]imidazole-1-carboxamide
CID 81257953
N-[1-(1,3-benzodioxol-5-yl)ethyl]imidazole-1-carboxamide
CID 81257632
N-[(1S)-1-(3-methoxyphenyl)ethyl]imidazole-1-carboxamide
CID 81373091
N-[(1R)-1-(2-bromophenyl)ethyl]imidazole-1-carboxamide
CID 81397436
N-(1-pyridin-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272046
di(imidazol-1-yl)methanone;(2R)-4,4,4-trifluoro-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 161027435
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 40713294
N-[2-chloro-4-(trifluoromethyl)phenyl]imidazole-1-carboxamide
CID 81257554
2,2,3,3-tetrafluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 103732673
2-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 43711973
N-(1-pyridin-4-ylethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 43202288
2-amino-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 43711976

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazole-1-carboxamide?
The IUPAC name of N-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazole-1-carboxamide (CID 81258195) is N-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazole-1-carboxamide?
The canonical SMILES for N-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazole-1-carboxamide is CC(NC(=O)n1ccnc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazole-1-carboxamide?
The InChIKey is IAENNMADIFPUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-9(18-12(20)19-7-6-17-8-19)10-2-4-11(5-3-10)13(14,15)16/h2-9H,1H3,(H,18,20).
What are the key properties of N-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazole-1-carboxamide?
N-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazole-1-carboxamide has a molecular weight of 283.25 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(trifluoromethyl)phenyl]ethyl]imidazole-1-carboxamide is sourced from PubChem (CID 81258195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).