ethyl N-[5-(trifluoromethyl)-1H-imidazol-2-yl]carbamate

C7H8F3N3O2 — CID 174518870

IUPACethyl N-[5-(trifluoromethyl)-1H-imidazol-2-yl]carbamate
SMILESCCOC(=O)Nc1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C7H8F3N3O2/c1-2-15-6(14)13-5-11-3-4(12-5)7(8,9)10/h3H,2H2,1H3,(H2,11,12,13,14)
InChIKeyJIXJJWAEDCVFLS-UHFFFAOYSA-N
MW223.15 g/mol
LogP2.00
Rot. Bonds2

About ethyl N-[5-(trifluoromethyl)-1H-imidazol-2-yl]carbamate

ethyl N-[5-(trifluoromethyl)-1H-imidazol-2-yl]carbamate (PubChem CID 174518870) has the molecular formula C7H8F3N3O2 and a molecular weight of 223.15 g/mol. Its IUPAC name is ethyl N-[5-(trifluoromethyl)-1H-imidazol-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-(trifluoromethyl)-1H-imidazol-2-yl]carbamate
PubChem CID174518870
Molecular FormulaC7H8F3N3O2
Molecular Weight223.15 g/mol
Exact Mass223.06
IUPAC Nameethyl N-[5-(trifluoromethyl)-1H-imidazol-2-yl]carbamate
SMILESCCOC(=O)Nc1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C7H8F3N3O2/c1-2-15-6(14)13-5-11-3-4(12-5)7(8,9)10/h3H,2H2,1H3,(H2,11,12,13,14)
InChIKeyJIXJJWAEDCVFLS-UHFFFAOYSA-N
XLogP2.00
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethyl N-[5-(trifluoromethyl)-1H-imidazol-2-yl]carbamate 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

N-(4-Methyl-1H-imidazol-2-yl)-acetamide
CID 566330
5-methyl-1H-imidazole;2,2,2-trifluoroacetic acid
CID 23116838
[1-(4-Trifluoromethyl-1H-imidazol-2-yl)-cyclopropyl]-carbamic acid tert-butyl ester
CID 67389842
2-(Dimethoxymethyl)-4-(trifluoromethyl)-1H-imidazole
CID 67548714
5-methyl-2-(trifluoromethoxy)-1H-imidazole
CID 68374602
(5-methyl-1H-imidazol-2-yl) 2,2,2-trifluoroacetate
CID 69533801
tert-butyl N-[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 71280414
(S)-tert-butyl 1-(5-(trifluoromethyl)-1H-imidazol-2-yl)ethylcarbamate
CID 71280415
tert-butyl N-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 71283820
N-ethyl-5-(trifluoromethyl)-1H-imidazol-2-amine;hydrochloride
CID 71283925
2-(3-Methyloxetan-3-yl)-4-(trifluoromethyl)-1H-imidazole
CID 90030343
3-ethyl-2,4-dimethyl-1H-imidazol-3-ium;2,2,2-trifluoroacetate
CID 118062461

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-(trifluoromethyl)-1H-imidazol-2-yl]carbamate?
The IUPAC name of ethyl N-[5-(trifluoromethyl)-1H-imidazol-2-yl]carbamate (CID 174518870) is ethyl N-[5-(trifluoromethyl)-1H-imidazol-2-yl]carbamate.
What is the SMILES notation for ethyl N-[5-(trifluoromethyl)-1H-imidazol-2-yl]carbamate?
The canonical SMILES for ethyl N-[5-(trifluoromethyl)-1H-imidazol-2-yl]carbamate is CCOC(=O)Nc1ncc(C(F)(F)F)[nH]1.
What is the InChIKey of ethyl N-[5-(trifluoromethyl)-1H-imidazol-2-yl]carbamate?
The InChIKey is JIXJJWAEDCVFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2/c1-2-15-6(14)13-5-11-3-4(12-5)7(8,9)10/h3H,2H2,1H3,(H2,11,12,13,14).
What are the key properties of ethyl N-[5-(trifluoromethyl)-1H-imidazol-2-yl]carbamate?
ethyl N-[5-(trifluoromethyl)-1H-imidazol-2-yl]carbamate has a molecular weight of 223.15 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-(trifluoromethyl)-1H-imidazol-2-yl]carbamate is sourced from PubChem (CID 174518870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).