3-methyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]butanamide

C18H22F3N3O2 — CID 17344601

IUPAC3-methyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]butanamide
SMILESCCCN1C(=O)C(NC(=O)CC(C)C)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C18H22F3N3O2/c1-4-10-24-15(13-8-6-5-7-9-13)23-17(16(24)26,18(19,20)21)22-14(25)11-12(2)3/h5-9,12H,4,10-11H2,1-3H3,(H,22,25)
InChIKeyPKRXFPFFDZSIHA-UHFFFAOYSA-N
MW369.39 g/mol
LogP3.11
Rot. Bonds6

About 3-methyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]butanamide

3-methyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]butanamide (PubChem CID 17344601) has the molecular formula C18H22F3N3O2 and a molecular weight of 369.39 g/mol. Its IUPAC name is 3-methyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]butanamide
PubChem CID17344601
Molecular FormulaC18H22F3N3O2
Molecular Weight369.39 g/mol
Exact Mass369.17
IUPAC Name3-methyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]butanamide
SMILESCCCN1C(=O)C(NC(=O)CC(C)C)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C18H22F3N3O2/c1-4-10-24-15(13-8-6-5-7-9-13)23-17(16(24)26,18(19,20)21)22-14(25)11-12(2)3/h5-9,12H,4,10-11H2,1-3H3,(H,22,25)
InChIKeyPKRXFPFFDZSIHA-UHFFFAOYSA-N
XLogP3.11
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]butanamide?
The IUPAC name of 3-methyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]butanamide (CID 17344601) is 3-methyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]butanamide?
The canonical SMILES for 3-methyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]butanamide is CCCN1C(=O)C(NC(=O)CC(C)C)(C(F)(F)F)N=C1c1ccccc1.
What is the InChIKey of 3-methyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]butanamide?
The InChIKey is PKRXFPFFDZSIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O2/c1-4-10-24-15(13-8-6-5-7-9-13)23-17(16(24)26,18(19,20)21)22-14(25)11-12(2)3/h5-9,12H,4,10-11H2,1-3H3,(H,22,25).
What are the key properties of 3-methyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]butanamide?
3-methyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]butanamide has a molecular weight of 369.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]butanamide is sourced from PubChem (CID 17344601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).