N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide

C20H22F3N3O2 — CID 17344373

IUPACN-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCCC2)C1=O)C1CC1
InChIInChI=1S/C20H22F3N3O2/c21-20(22,23)19(25-17(27)14-11-12-14)18(28)26(15-9-5-2-6-10-15)16(24-19)13-7-3-1-4-8-13/h1,3-4,7-8,14-15H,2,5-6,9-12H2,(H,25,27)
InChIKeyJAWKEYBIFRUFRK-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.39
Rot. Bonds4

About N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide

N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide (PubChem CID 17344373) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide
PubChem CID17344373
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC NameN-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCCC2)C1=O)C1CC1
InChIInChI=1S/C20H22F3N3O2/c21-20(22,23)19(25-17(27)14-11-12-14)18(28)26(15-9-5-2-6-10-15)16(24-19)13-7-3-1-4-8-13/h1,3-4,7-8,14-15H,2,5-6,9-12H2,(H,25,27)
InChIKeyJAWKEYBIFRUFRK-UHFFFAOYSA-N
XLogP3.39
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide (CID 17344373) is N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide is O=C(NC1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCCC2)C1=O)C1CC1.
What is the InChIKey of N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide?
The InChIKey is JAWKEYBIFRUFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c21-20(22,23)19(25-17(27)14-11-12-14)18(28)26(15-9-5-2-6-10-15)16(24-19)13-7-3-1-4-8-13/h1,3-4,7-8,14-15H,2,5-6,9-12H2,(H,25,27).
What are the key properties of N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide?
N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide has a molecular weight of 393.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 17344373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).