1-[2-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]ethyl]imidazole-4-carboxylic acid

C15H14F3N3O4 — CID 167926268

IUPAC1-[2-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]ethyl]imidazole-4-carboxylic acid
SMILESO=C(NCCn1cnc(C(=O)O)c1)c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C15H14F3N3O4/c16-15(17,18)8-25-11-3-1-10(2-4-11)13(22)19-5-6-21-7-12(14(23)24)20-9-21/h1-4,7,9H,5-6,8H2,(H,19,22)(H,23,24)
InChIKeyKIPQUKTZWNKRMA-UHFFFAOYSA-N
MW357.29 g/mol
LogP1.95
Rot. Bonds7

About 1-[2-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]ethyl]imidazole-4-carboxylic acid

1-[2-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]ethyl]imidazole-4-carboxylic acid (PubChem CID 167926268) has the molecular formula C15H14F3N3O4 and a molecular weight of 357.29 g/mol. Its IUPAC name is 1-[2-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]ethyl]imidazole-4-carboxylic acid
PubChem CID167926268
Molecular FormulaC15H14F3N3O4
Molecular Weight357.29 g/mol
Exact Mass357.09
IUPAC Name1-[2-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]ethyl]imidazole-4-carboxylic acid
SMILESO=C(NCCn1cnc(C(=O)O)c1)c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C15H14F3N3O4/c16-15(17,18)8-25-11-3-1-10(2-4-11)13(22)19-5-6-21-7-12(14(23)24)20-9-21/h1-4,7,9H,5-6,8H2,(H,19,22)(H,23,24)
InChIKeyKIPQUKTZWNKRMA-UHFFFAOYSA-N
XLogP1.95
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(3-chloro-4-fluorobenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496672
1-[2-[3-(2,2,2-trifluoroethoxy)propanoylamino]ethyl]imidazole-4-carboxylic acid
CID 107496731
1-[2-(1H-pyrazole-4-carbonylamino)ethyl]imidazole-4-carboxylic acid
CID 107496974
1-[2-[(2,6-dihydroxybenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107688299
1-[2-[(4-amino-3-methylbenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107500519
1-[2-[(6-chloropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107497519
1-(2-acetamidoethyl)imidazole-4-carboxylic acid
CID 107496341
1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole-4-carboxylic acid
CID 106716934
1-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496870
1-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107497236
1-[2-(2-methylbutanoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496695
1-[2-[(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 138029181

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]ethyl]imidazole-4-carboxylic acid (CID 167926268) is 1-[2-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]ethyl]imidazole-4-carboxylic acid is O=C(NCCn1cnc(C(=O)O)c1)c1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 1-[2-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]ethyl]imidazole-4-carboxylic acid?
The InChIKey is KIPQUKTZWNKRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O4/c16-15(17,18)8-25-11-3-1-10(2-4-11)13(22)19-5-6-21-7-12(14(23)24)20-9-21/h1-4,7,9H,5-6,8H2,(H,19,22)(H,23,24).
What are the key properties of 1-[2-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]ethyl]imidazole-4-carboxylic acid?
1-[2-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]ethyl]imidazole-4-carboxylic acid has a molecular weight of 357.29 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 167926268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).