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

C21H26F3N3O2 — CID 10173110

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide
SMILESCC(C)(CO)NC(=O)C1CCC(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1
InChIInChI=1S/C21H26F3N3O2/c1-20(2,12-28)27-19(29)14-8-6-13(7-9-14)18-25-11-17(26-18)15-4-3-5-16(10-15)21(22,23)24/h3-5,10-11,13-14,28H,6-9,12H2,1-2H3,(H,25,26)(H,27,29)
InChIKeyRIKBHTBZXBFBQC-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.26
Rot. Bonds5

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

N-(1-hydroxy-2-methylpropan-2-yl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide (PubChem CID 10173110) has the molecular formula C21H26F3N3O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide
PubChem CID10173110
Molecular FormulaC21H26F3N3O2
Molecular Weight409.45 g/mol
Exact Mass409.20
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide
SMILESCC(C)(CO)NC(=O)C1CCC(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1
InChIInChI=1S/C21H26F3N3O2/c1-20(2,12-28)27-19(29)14-8-6-13(7-9-14)18-25-11-17(26-18)15-4-3-5-16(10-15)21(22,23)24/h3-5,10-11,13-14,28H,6-9,12H2,1-2H3,(H,25,26)(H,27,29)
InChIKeyRIKBHTBZXBFBQC-UHFFFAOYSA-N
XLogP4.26
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide (CID 10173110) is N-(1-hydroxy-2-methylpropan-2-yl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide is CC(C)(CO)NC(=O)C1CCC(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide?
The InChIKey is RIKBHTBZXBFBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N3O2/c1-20(2,12-28)27-19(29)14-8-6-13(7-9-14)18-25-11-17(26-18)15-4-3-5-16(10-15)21(22,23)24/h3-5,10-11,13-14,28H,6-9,12H2,1-2H3,(H,25,26)(H,27,29).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 4.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 10173110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).