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

C20H24F3N3O2 — CID 11429355

IUPACN-(3-hydroxypropyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide
SMILESO=C(NCCCO)C1CCC(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1
InChIInChI=1S/C20H24F3N3O2/c21-20(22,23)16-4-1-3-15(11-16)17-12-25-18(26-17)13-5-7-14(8-6-13)19(28)24-9-2-10-27/h1,3-4,11-14,27H,2,5-10H2,(H,24,28)(H,25,26)
InChIKeyOWRBKZVJRCOZOF-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.87
Rot. Bonds6

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

N-(3-hydroxypropyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide (PubChem CID 11429355) has the molecular formula C20H24F3N3O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide
PubChem CID11429355
Molecular FormulaC20H24F3N3O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC NameN-(3-hydroxypropyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide
SMILESO=C(NCCCO)C1CCC(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1
InChIInChI=1S/C20H24F3N3O2/c21-20(22,23)16-4-1-3-15(11-16)17-12-25-18(26-17)13-5-7-14(8-6-13)19(28)24-9-2-10-27/h1,3-4,11-14,27H,2,5-10H2,(H,24,28)(H,25,26)
InChIKeyOWRBKZVJRCOZOF-UHFFFAOYSA-N
XLogP3.87
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide (CID 11429355) is N-(3-hydroxypropyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide is O=C(NCCCO)C1CCC(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1.
What is the InChIKey of N-(3-hydroxypropyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide?
The InChIKey is OWRBKZVJRCOZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O2/c21-20(22,23)16-4-1-3-15(11-16)17-12-25-18(26-17)13-5-7-14(8-6-13)19(28)24-9-2-10-27/h1,3-4,11-14,27H,2,5-10H2,(H,24,28)(H,25,26).
What are the key properties of N-(3-hydroxypropyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide?
N-(3-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, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 11429355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).