2-amino-N-[2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-yl]acetamide

C9H6F12N4O — CID 154314160

IUPAC2-amino-N-[2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-yl]acetamide
SMILESNCC(=O)NC1=NC(C(F)(F)F)(C(F)(F)F)NC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H6F12N4O/c10-6(11,12)4(7(13,14)15)3(23-2(26)1-22)24-5(25-4,8(16,17)18)9(19,20)21/h25H,1,22H2,(H,23,24,26)
InChIKeyITVYLGGJKKCHGC-UHFFFAOYSA-N
MW414.15 g/mol
LogP1.75
Rot. Bonds1

About 2-amino-N-[2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-yl]acetamide

2-amino-N-[2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-yl]acetamide (PubChem CID 154314160) has the molecular formula C9H6F12N4O and a molecular weight of 414.15 g/mol. Its IUPAC name is 2-amino-N-[2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-yl]acetamide
PubChem CID154314160
Molecular FormulaC9H6F12N4O
Molecular Weight414.15 g/mol
Exact Mass414.03
IUPAC Name2-amino-N-[2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-yl]acetamide
SMILESNCC(=O)NC1=NC(C(F)(F)F)(C(F)(F)F)NC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H6F12N4O/c10-6(11,12)4(7(13,14)15)3(23-2(26)1-22)24-5(25-4,8(16,17)18)9(19,20)21/h25H,1,22H2,(H,23,24,26)
InChIKeyITVYLGGJKKCHGC-UHFFFAOYSA-N
XLogP1.75
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.15
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-yl]acetamide?
The IUPAC name of 2-amino-N-[2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-yl]acetamide (CID 154314160) is 2-amino-N-[2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-yl]acetamide.
What is the SMILES notation for 2-amino-N-[2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-yl]acetamide?
The canonical SMILES for 2-amino-N-[2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-yl]acetamide is NCC(=O)NC1=NC(C(F)(F)F)(C(F)(F)F)NC1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-amino-N-[2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-yl]acetamide?
The InChIKey is ITVYLGGJKKCHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F12N4O/c10-6(11,12)4(7(13,14)15)3(23-2(26)1-22)24-5(25-4,8(16,17)18)9(19,20)21/h25H,1,22H2,(H,23,24,26).
What are the key properties of 2-amino-N-[2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-yl]acetamide?
2-amino-N-[2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-yl]acetamide has a molecular weight of 414.15 g/mol, XLogP of 1.75, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazol-4-yl]acetamide is sourced from PubChem (CID 154314160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).