N-(1H-imidazol-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

C12H16F3N3O — CID 112691041

IUPACN-(1H-imidazol-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1ncc[nH]1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)9-4-2-1-3-8(9)11(19)18-7-10-16-5-6-17-10/h5-6,8-9H,1-4,7H2,(H,16,17)(H,18,19)
InChIKeyRNXLMDLPMMQRAS-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.39
Rot. Bonds3

About N-(1H-imidazol-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-(1H-imidazol-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 112691041) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID112691041
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC NameN-(1H-imidazol-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1ncc[nH]1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)9-4-2-1-3-8(9)11(19)18-7-10-16-5-6-17-10/h5-6,8-9H,1-4,7H2,(H,16,17)(H,18,19)
InChIKeyRNXLMDLPMMQRAS-UHFFFAOYSA-N
XLogP2.39
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.39
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
(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
[3-(2-Methylimidazol-1-yl)piperidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 53605156

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 112691041) is N-(1H-imidazol-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(NCc1ncc[nH]1)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is RNXLMDLPMMQRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)9-4-2-1-3-8(9)11(19)18-7-10-16-5-6-17-10/h5-6,8-9H,1-4,7H2,(H,16,17)(H,18,19).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(1H-imidazol-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 275.27 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 112691041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).