N-(2-hydroxypropyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide

C20H24F3N3O2 — CID 10194221

IUPACN-(2-hydroxypropyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide
SMILESCC(O)CNC(=O)C1CCC(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1
InChIInChI=1S/C20H24F3N3O2/c1-12(27)10-25-19(28)14-7-5-13(6-8-14)18-24-11-17(26-18)15-3-2-4-16(9-15)20(21,22)23/h2-4,9,11-14,27H,5-8,10H2,1H3,(H,24,26)(H,25,28)
InChIKeyRKHCBTLYJNSFST-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.87
Rot. Bonds5

About N-(2-hydroxypropyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide

N-(2-hydroxypropyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide (PubChem CID 10194221) has the molecular formula C20H24F3N3O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide
PubChem CID10194221
Molecular FormulaC20H24F3N3O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC NameN-(2-hydroxypropyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide
SMILESCC(O)CNC(=O)C1CCC(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1
InChIInChI=1S/C20H24F3N3O2/c1-12(27)10-25-19(28)14-7-5-13(6-8-14)18-24-11-17(26-18)15-3-2-4-16(9-15)20(21,22)23/h2-4,9,11-14,27H,5-8,10H2,1H3,(H,24,26)(H,25,28)
InChIKeyRKHCBTLYJNSFST-UHFFFAOYSA-N
XLogP3.87
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide
CID 10173110
1-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]ethanone
CID 21027535
2-cyclohexyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;(1-hydroxy-2-methylpropan-2-yl)carbamic acid
CID 69353333
cyclopropyl-[(2R)-2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]methanone
CID 95630311
1-N-(2-methylpropyl)-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 109145347
2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]pyridine
CID 10156114
phenyl-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol
CID 46942875
5-(3-bromophenyl)-2-cyclopropyl-1H-imidazole
CID 89481039
(4-fluorophenyl)-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol
CID 46943500
4-[[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]benzoic acid
CID 141377215
3-(2-cyclopentyl-1H-imidazol-5-yl)phenol
CID 115036762
2-[[4-(2-cyclopropyl-1H-imidazol-5-yl)-2-methylphenoxy]methyl]-3-fluoro-5-(trifluoromethyl)pyridine
CID 145339728

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide (CID 10194221) is N-(2-hydroxypropyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide is CC(O)CNC(=O)C1CCC(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1.
What is the InChIKey of N-(2-hydroxypropyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide?
The InChIKey is RKHCBTLYJNSFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O2/c1-12(27)10-25-19(28)14-7-5-13(6-8-14)18-24-11-17(26-18)15-3-2-4-16(9-15)20(21,22)23/h2-4,9,11-14,27H,5-8,10H2,1H3,(H,24,26)(H,25,28).
What are the key properties of N-(2-hydroxypropyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide?
N-(2-hydroxypropyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 3.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 10194221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).