2-cyclohexyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;(1-hydroxy-2-methylpropan-2-yl)carbamic acid

C21H28F3N3O3 — CID 69353333

IUPAC2-cyclohexyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;(1-hydroxy-2-methylpropan-2-yl)carbamic acid
SMILESCC(C)(CO)NC(=O)O.FC(F)(F)c1cccc(-c2cnc(C3CCCCC3)[nH]2)c1
InChIInChI=1S/C16H17F3N2.C5H11NO3/c17-16(18,19)13-8-4-7-12(9-13)14-10-20-15(21-14)11-5-2-1-3-6-11;1-5(2,3-7)6-4(8)9/h4,7-11H,1-3,5-6H2,(H,20,21);6-7H,3H2,1-2H3,(H,8,9)
InChIKeyBUQFRAZHXCUUAC-UHFFFAOYSA-N
MW427.47 g/mol
LogP5.17
Rot. Bonds4

About 2-cyclohexyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;(1-hydroxy-2-methylpropan-2-yl)carbamic acid

2-cyclohexyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;(1-hydroxy-2-methylpropan-2-yl)carbamic acid (PubChem CID 69353333) has the molecular formula C21H28F3N3O3 and a molecular weight of 427.47 g/mol. Its IUPAC name is 2-cyclohexyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;(1-hydroxy-2-methylpropan-2-yl)carbamic acid.

Molecular Properties

Compound Name2-cyclohexyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;(1-hydroxy-2-methylpropan-2-yl)carbamic acid
PubChem CID69353333
Molecular FormulaC21H28F3N3O3
Molecular Weight427.47 g/mol
Exact Mass427.21
IUPAC Name2-cyclohexyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;(1-hydroxy-2-methylpropan-2-yl)carbamic acid
SMILESCC(C)(CO)NC(=O)O.FC(F)(F)c1cccc(-c2cnc(C3CCCCC3)[nH]2)c1
InChIInChI=1S/C16H17F3N2.C5H11NO3/c17-16(18,19)13-8-4-7-12(9-13)14-10-20-15(21-14)11-5-2-1-3-6-11;1-5(2,3-7)6-4(8)9/h4,7-11H,1-3,5-6H2,(H,20,21);6-7H,3H2,1-2H3,(H,8,9)
InChIKeyBUQFRAZHXCUUAC-UHFFFAOYSA-N
XLogP5.17
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.47
LogP ≤ 55.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]ethanone
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N-(2-hydroxypropyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide
CID 10194221
3-(2-cyclopentyl-1H-imidazol-5-yl)phenol
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cyclopropyl-[(2R)-2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]methanone
CID 95630311
2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]pyridine
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4-[[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]benzoic acid
CID 141377215
2-[[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine
CID 146407301
N-(1-hydroxy-2-methylpropan-2-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 110000611
5-(3-bromophenyl)-2-cyclopropyl-1H-imidazole
CID 89481039
N-cyclohexyl-1-ethyl-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 46104689
4-(2-cyclobutyl-1H-imidazol-5-yl)benzene-1,2-diol
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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;(1-hydroxy-2-methylpropan-2-yl)carbamic acid?
The IUPAC name of 2-cyclohexyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;(1-hydroxy-2-methylpropan-2-yl)carbamic acid (CID 69353333) is 2-cyclohexyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;(1-hydroxy-2-methylpropan-2-yl)carbamic acid.
What is the SMILES notation for 2-cyclohexyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;(1-hydroxy-2-methylpropan-2-yl)carbamic acid?
The canonical SMILES for 2-cyclohexyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;(1-hydroxy-2-methylpropan-2-yl)carbamic acid is CC(C)(CO)NC(=O)O.FC(F)(F)c1cccc(-c2cnc(C3CCCCC3)[nH]2)c1.
What is the InChIKey of 2-cyclohexyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;(1-hydroxy-2-methylpropan-2-yl)carbamic acid?
The InChIKey is BUQFRAZHXCUUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2.C5H11NO3/c17-16(18,19)13-8-4-7-12(9-13)14-10-20-15(21-14)11-5-2-1-3-6-11;1-5(2,3-7)6-4(8)9/h4,7-11H,1-3,5-6H2,(H,20,21);6-7H,3H2,1-2H3,(H,8,9).
What are the key properties of 2-cyclohexyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;(1-hydroxy-2-methylpropan-2-yl)carbamic acid?
2-cyclohexyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;(1-hydroxy-2-methylpropan-2-yl)carbamic acid has a molecular weight of 427.47 g/mol, XLogP of 5.17, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;(1-hydroxy-2-methylpropan-2-yl)carbamic acid is sourced from PubChem (CID 69353333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).