2,2,2-trifluoro-N-methyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]acetamide

C10H16F3N3O — CID 162583401

IUPAC2,2,2-trifluoro-N-methyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]acetamide
SMILESCN1C=CN(CCCN(C)C(=O)C(F)(F)F)C1
InChIInChI=1S/C10H16F3N3O/c1-14-6-7-16(8-14)5-3-4-15(2)9(17)10(11,12)13/h6-7H,3-5,8H2,1-2H3
InChIKeyTUTXVTWBVFTQST-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.07
Rot. Bonds4

About 2,2,2-trifluoro-N-methyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]acetamide

2,2,2-trifluoro-N-methyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]acetamide (PubChem CID 162583401) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]acetamide
PubChem CID162583401
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name2,2,2-trifluoro-N-methyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]acetamide
SMILESCN1C=CN(CCCN(C)C(=O)C(F)(F)F)C1
InChIInChI=1S/C10H16F3N3O/c1-14-6-7-16(8-14)5-3-4-15(2)9(17)10(11,12)13/h6-7H,3-5,8H2,1-2H3
InChIKeyTUTXVTWBVFTQST-UHFFFAOYSA-N
XLogP1.07
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]acetamide (CID 162583401) is 2,2,2-trifluoro-N-methyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]acetamide is CN1C=CN(CCCN(C)C(=O)C(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]acetamide?
The InChIKey is TUTXVTWBVFTQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-14-6-7-16(8-14)5-3-4-15(2)9(17)10(11,12)13/h6-7H,3-5,8H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]acetamide?
2,2,2-trifluoro-N-methyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]acetamide has a molecular weight of 251.25 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]acetamide is sourced from PubChem (CID 162583401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).