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

C20H24F3N3O2 — CID 11395323

IUPACN-[(2R)-2-hydroxypropyl]-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide
SMILESC[C@@H](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)/t12-,13?,14?/m1/s1
InChIKeyRKHCBTLYJNSFST-IYXRBSQSSA-N
MW395.43 g/mol
LogP3.87
Rot. Bonds5

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

N-[(2R)-2-hydroxypropyl]-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide (PubChem CID 11395323) has the molecular formula C20H24F3N3O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide
PubChem CID11395323
Molecular FormulaC20H24F3N3O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC NameN-[(2R)-2-hydroxypropyl]-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide
SMILESC[C@@H](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)/t12-,13?,14?/m1/s1
InChIKeyRKHCBTLYJNSFST-IYXRBSQSSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide (CID 11395323) is N-[(2R)-2-hydroxypropyl]-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide is C[C@@H](O)CNC(=O)C1CCC(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide?
The InChIKey is RKHCBTLYJNSFST-IYXRBSQSSA-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)/t12-,13?,14?/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide?
N-[(2R)-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-[(2R)-2-hydroxypropyl]-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 11395323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).