2-[4-(aminomethyl)imidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C8H11F3N4O — CID 106718109

IUPAC2-[4-(aminomethyl)imidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCc1cn(CC(=O)NCC(F)(F)F)cn1
InChIInChI=1S/C8H11F3N4O/c9-8(10,11)4-13-7(16)3-15-2-6(1-12)14-5-15/h2,5H,1,3-4,12H2,(H,13,16)
InChIKeyWJWKTKCPNIQITH-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.02
Rot. Bonds4

About 2-[4-(aminomethyl)imidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-(aminomethyl)imidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 106718109) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is 2-[4-(aminomethyl)imidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)imidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID106718109
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name2-[4-(aminomethyl)imidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCc1cn(CC(=O)NCC(F)(F)F)cn1
InChIInChI=1S/C8H11F3N4O/c9-8(10,11)4-13-7(16)3-15-2-6(1-12)14-5-15/h2,5H,1,3-4,12H2,(H,13,16)
InChIKeyWJWKTKCPNIQITH-UHFFFAOYSA-N
XLogP0.02
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 60312126
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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)imidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)imidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 106718109) is 2-[4-(aminomethyl)imidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)imidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)imidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is NCc1cn(CC(=O)NCC(F)(F)F)cn1.
What is the InChIKey of 2-[4-(aminomethyl)imidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is WJWKTKCPNIQITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c9-8(10,11)4-13-7(16)3-15-2-6(1-12)14-5-15/h2,5H,1,3-4,12H2,(H,13,16).
What are the key properties of 2-[4-(aminomethyl)imidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(aminomethyl)imidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 236.20 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)imidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 106718109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).