N-[2-(1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

C13H18F3N3O — CID 115668660

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCCc1ncc[nH]1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H18F3N3O/c14-13(15,16)10-4-2-1-3-9(10)12(20)19-6-5-11-17-7-8-18-11/h7-10H,1-6H2,(H,17,18)(H,19,20)
InChIKeyJWZFKKMJUDKOOS-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.44
Rot. Bonds4

About N-[2-(1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-[2-(1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 115668660) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID115668660
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCCc1ncc[nH]1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H18F3N3O/c14-13(15,16)10-4-2-1-3-9(10)12(20)19-6-5-11-17-7-8-18-11/h7-10H,1-6H2,(H,17,18)(H,19,20)
InChIKeyJWZFKKMJUDKOOS-UHFFFAOYSA-N
XLogP2.44
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-N-(3-imidazolylpropyl)carboxamide
CID 3425823
3-(1H-imidazol-2-yl)-1-(4,4,4-trifluorobutanoyl)piperidine
CID 70783442
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 84585406
(2S)-3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide
CID 95627590
rac-(1R,2S,3r,4R,5S)-N-[3-(1H-imidazol-2-yl)propyl]tricyclo[3.2.1.0~2,4~]octane-3-carboxamide
CID 119067424
rac-(1R,2S,3r,4R,5S)-N-[2-(1H-imidazol-2-yl)ethyl]tricyclo[3.2.1.0~2,4~]octane-3-carboxamide
CID 121513116
[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-(3,3,5-trimethylcyclohexyl)methanone
CID 126832130
2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 126835443
2-[2,2,2-trifluoro-1-(1H-imidazol-2-yl)ethyl]-4-azaspiro[2.5]octane-7-carboxamide
CID 175868550
2-Cyclohexyl-1-(1H-imidazol-2-yl)ethanone
CID 573533
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(3-imidazol-1-ylpropyl)cyclohexane-1-carboxamide
CID 4295777
2,2,2-trifluoro-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 18695364

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 115668660) is N-[2-(1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(NCCc1ncc[nH]1)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is JWZFKKMJUDKOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c14-13(15,16)10-4-2-1-3-9(10)12(20)19-6-5-11-17-7-8-18-11/h7-10H,1-6H2,(H,17,18)(H,19,20).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[2-(1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 289.30 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115668660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).