(1S)-2-cyclohexyl-1-[[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]cyclobutan-1-amine

C21H26F3N3 — CID 154439188

IUPAC(1S)-2-cyclohexyl-1-[[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]cyclobutan-1-amine
SMILESN[C@]1(Cc2ncc(-c3ccc(C(F)(F)F)cc3)[nH]2)CCC1C1CCCCC1
InChIInChI=1S/C21H26F3N3/c22-21(23,24)16-8-6-15(7-9-16)18-13-26-19(27-18)12-20(25)11-10-17(20)14-4-2-1-3-5-14/h6-9,13-14,17H,1-5,10-12,25H2,(H,26,27)/t17?,20-/m0/s1
InChIKeyZUQMSTSAWKMEFX-OZBJMMHXSA-N
MW377.45 g/mol
LogP5.33
Rot. Bonds4

About (1S)-2-cyclohexyl-1-[[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]cyclobutan-1-amine

(1S)-2-cyclohexyl-1-[[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]cyclobutan-1-amine (PubChem CID 154439188) has the molecular formula C21H26F3N3 and a molecular weight of 377.45 g/mol. Its IUPAC name is (1S)-2-cyclohexyl-1-[[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name(1S)-2-cyclohexyl-1-[[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]cyclobutan-1-amine
PubChem CID154439188
Molecular FormulaC21H26F3N3
Molecular Weight377.45 g/mol
Exact Mass377.21
IUPAC Name(1S)-2-cyclohexyl-1-[[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]cyclobutan-1-amine
SMILESN[C@]1(Cc2ncc(-c3ccc(C(F)(F)F)cc3)[nH]2)CCC1C1CCCCC1
InChIInChI=1S/C21H26F3N3/c22-21(23,24)16-8-6-15(7-9-16)18-13-26-19(27-18)12-20(25)11-10-17(20)14-4-2-1-3-5-14/h6-9,13-14,17H,1-5,10-12,25H2,(H,26,27)/t17?,20-/m0/s1
InChIKeyZUQMSTSAWKMEFX-OZBJMMHXSA-N
XLogP5.33
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.45
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-cyclohexyl-1-[[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]cyclobutan-1-amine?
The IUPAC name of (1S)-2-cyclohexyl-1-[[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]cyclobutan-1-amine (CID 154439188) is (1S)-2-cyclohexyl-1-[[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]cyclobutan-1-amine.
What is the SMILES notation for (1S)-2-cyclohexyl-1-[[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]cyclobutan-1-amine?
The canonical SMILES for (1S)-2-cyclohexyl-1-[[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]cyclobutan-1-amine is N[C@]1(Cc2ncc(-c3ccc(C(F)(F)F)cc3)[nH]2)CCC1C1CCCCC1.
What is the InChIKey of (1S)-2-cyclohexyl-1-[[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]cyclobutan-1-amine?
The InChIKey is ZUQMSTSAWKMEFX-OZBJMMHXSA-N. The full InChI is InChI=1S/C21H26F3N3/c22-21(23,24)16-8-6-15(7-9-16)18-13-26-19(27-18)12-20(25)11-10-17(20)14-4-2-1-3-5-14/h6-9,13-14,17H,1-5,10-12,25H2,(H,26,27)/t17?,20-/m0/s1.
What are the key properties of (1S)-2-cyclohexyl-1-[[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]cyclobutan-1-amine?
(1S)-2-cyclohexyl-1-[[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]cyclobutan-1-amine has a molecular weight of 377.45 g/mol, XLogP of 5.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-cyclohexyl-1-[[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]cyclobutan-1-amine is sourced from PubChem (CID 154439188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).