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

C17H18F3N3O2 — CID 16764287

IUPACN-[5-oxo-2-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide
SMILESCC(C)N1C(=O)C(NC(=O)C2CC2)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C17H18F3N3O2/c1-10(2)23-13(11-6-4-3-5-7-11)21-16(15(23)25,17(18,19)20)22-14(24)12-8-9-12/h3-7,10,12H,8-9H2,1-2H3,(H,22,24)
InChIKeyMQFXDOZTYZNFRY-UHFFFAOYSA-N
MW353.34 g/mol
LogP2.47
Rot. Bonds4

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

N-[5-oxo-2-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide (PubChem CID 16764287) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is N-[5-oxo-2-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-oxo-2-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide
PubChem CID16764287
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC NameN-[5-oxo-2-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide
SMILESCC(C)N1C(=O)C(NC(=O)C2CC2)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C17H18F3N3O2/c1-10(2)23-13(11-6-4-3-5-7-11)21-16(15(23)25,17(18,19)20)22-14(24)12-8-9-12/h3-7,10,12H,8-9H2,1-2H3,(H,22,24)
InChIKeyMQFXDOZTYZNFRY-UHFFFAOYSA-N
XLogP2.47
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-oxo-2-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-oxo-2-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide (CID 16764287) is N-[5-oxo-2-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-oxo-2-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-oxo-2-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide is CC(C)N1C(=O)C(NC(=O)C2CC2)(C(F)(F)F)N=C1c1ccccc1.
What is the InChIKey of N-[5-oxo-2-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide?
The InChIKey is MQFXDOZTYZNFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-10(2)23-13(11-6-4-3-5-7-11)21-16(15(23)25,17(18,19)20)22-14(24)12-8-9-12/h3-7,10,12H,8-9H2,1-2H3,(H,22,24).
What are the key properties of N-[5-oxo-2-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide?
N-[5-oxo-2-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide has a molecular weight of 353.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-oxo-2-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 16764287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).