3-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclohexan-1-amine

C10H14F3N3 — CID 63046647

IUPAC3-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclohexan-1-amine
SMILESNC1CCCC(c2ncc(C(F)(F)F)[nH]2)C1
InChIInChI=1S/C10H14F3N3/c11-10(12,13)8-5-15-9(16-8)6-2-1-3-7(14)4-6/h5-7H,1-4,14H2,(H,15,16)
InChIKeyHGAQEFRXUHLEDU-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.41
Rot. Bonds1

About 3-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclohexan-1-amine

3-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclohexan-1-amine (PubChem CID 63046647) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 3-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclohexan-1-amine
PubChem CID63046647
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name3-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclohexan-1-amine
SMILESNC1CCCC(c2ncc(C(F)(F)F)[nH]2)C1
InChIInChI=1S/C10H14F3N3/c11-10(12,13)8-5-15-9(16-8)6-2-1-3-7(14)4-6/h5-7H,1-4,14H2,(H,15,16)
InChIKeyHGAQEFRXUHLEDU-UHFFFAOYSA-N
XLogP2.41
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 43650966
(3R)-3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 124710767
(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine
CID 124710768
2-(2-cyclohexyl-1H-imidazol-5-yl)ethanamine
CID 11074267
3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 121552282
cyclopropyl(4-methyl-1H-imidazol-2-yl)methanamine
CID 130118459
4-(5-(trifluoromethyl)-1H-imidazol-2-yl)piperidine dihydrochloride
CID 132342161
1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-amine hydrochloride
CID 145913535
2-[(2R)-pyrrolidin-2-yl]-4-(trifluoromethyl)-1H-imidazole dihydrochloride
CID 167720492
2-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethyl)-1H-imidazole dihydrochloride
CID 167730453
N,N-dimethyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-sulfonamide
CID 72120340
1-(3-piperidin-1-ylpropyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 86803437

Frequently Asked Questions

What is the IUPAC name of 3-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclohexan-1-amine?
The IUPAC name of 3-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclohexan-1-amine (CID 63046647) is 3-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 3-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclohexan-1-amine?
The canonical SMILES for 3-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclohexan-1-amine is NC1CCCC(c2ncc(C(F)(F)F)[nH]2)C1.
What is the InChIKey of 3-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclohexan-1-amine?
The InChIKey is HGAQEFRXUHLEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c11-10(12,13)8-5-15-9(16-8)6-2-1-3-7(14)4-6/h5-7H,1-4,14H2,(H,15,16).
What are the key properties of 3-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclohexan-1-amine?
3-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclohexan-1-amine has a molecular weight of 233.24 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 63046647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).