N-[[3-(4-tert-butyl-5-oxo-1,4-dihydroimidazol-2-yl)-4-chlorophenyl]methyl]-2,2,2-trifluoroacetamide

C16H17ClF3N3O2 — CID 118423547

IUPACN-[[3-(4-tert-butyl-5-oxo-1,4-dihydroimidazol-2-yl)-4-chlorophenyl]methyl]-2,2,2-trifluoroacetamide
SMILESCC(C)(C)C1N=C(c2cc(CNC(=O)C(F)(F)F)ccc2Cl)NC1=O
InChIInChI=1S/C16H17ClF3N3O2/c1-15(2,3)11-13(24)23-12(22-11)9-6-8(4-5-10(9)17)7-21-14(25)16(18,19)20/h4-6,11H,7H2,1-3H3,(H,21,25)(H,22,23,24)
InChIKeyARNAFFFWRPPCIQ-UHFFFAOYSA-N
MW375.78 g/mol
LogP2.81
Rot. Bonds3

About N-[[3-(4-tert-butyl-5-oxo-1,4-dihydroimidazol-2-yl)-4-chlorophenyl]methyl]-2,2,2-trifluoroacetamide

N-[[3-(4-tert-butyl-5-oxo-1,4-dihydroimidazol-2-yl)-4-chlorophenyl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 118423547) has the molecular formula C16H17ClF3N3O2 and a molecular weight of 375.78 g/mol. Its IUPAC name is N-[[3-(4-tert-butyl-5-oxo-1,4-dihydroimidazol-2-yl)-4-chlorophenyl]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[[3-(4-tert-butyl-5-oxo-1,4-dihydroimidazol-2-yl)-4-chlorophenyl]methyl]-2,2,2-trifluoroacetamide
PubChem CID118423547
Molecular FormulaC16H17ClF3N3O2
Molecular Weight375.78 g/mol
Exact Mass375.10
IUPAC NameN-[[3-(4-tert-butyl-5-oxo-1,4-dihydroimidazol-2-yl)-4-chlorophenyl]methyl]-2,2,2-trifluoroacetamide
SMILESCC(C)(C)C1N=C(c2cc(CNC(=O)C(F)(F)F)ccc2Cl)NC1=O
InChIInChI=1S/C16H17ClF3N3O2/c1-15(2,3)11-13(24)23-12(22-11)9-6-8(4-5-10(9)17)7-21-14(25)16(18,19)20/h4-6,11H,7H2,1-3H3,(H,21,25)(H,22,23,24)
InChIKeyARNAFFFWRPPCIQ-UHFFFAOYSA-N
XLogP2.81
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.78
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-tert-butyl-5-oxo-1,4-dihydroimidazol-2-yl)-4-chlorophenyl]methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[[3-(4-tert-butyl-5-oxo-1,4-dihydroimidazol-2-yl)-4-chlorophenyl]methyl]-2,2,2-trifluoroacetamide (CID 118423547) is N-[[3-(4-tert-butyl-5-oxo-1,4-dihydroimidazol-2-yl)-4-chlorophenyl]methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[[3-(4-tert-butyl-5-oxo-1,4-dihydroimidazol-2-yl)-4-chlorophenyl]methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[[3-(4-tert-butyl-5-oxo-1,4-dihydroimidazol-2-yl)-4-chlorophenyl]methyl]-2,2,2-trifluoroacetamide is CC(C)(C)C1N=C(c2cc(CNC(=O)C(F)(F)F)ccc2Cl)NC1=O.
What is the InChIKey of N-[[3-(4-tert-butyl-5-oxo-1,4-dihydroimidazol-2-yl)-4-chlorophenyl]methyl]-2,2,2-trifluoroacetamide?
The InChIKey is ARNAFFFWRPPCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF3N3O2/c1-15(2,3)11-13(24)23-12(22-11)9-6-8(4-5-10(9)17)7-21-14(25)16(18,19)20/h4-6,11H,7H2,1-3H3,(H,21,25)(H,22,23,24).
What are the key properties of N-[[3-(4-tert-butyl-5-oxo-1,4-dihydroimidazol-2-yl)-4-chlorophenyl]methyl]-2,2,2-trifluoroacetamide?
N-[[3-(4-tert-butyl-5-oxo-1,4-dihydroimidazol-2-yl)-4-chlorophenyl]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 375.78 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-tert-butyl-5-oxo-1,4-dihydroimidazol-2-yl)-4-chlorophenyl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 118423547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).