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

C9H9F6N3O — CID 537876

IUPACN-[2-[2,4-bis(trifluoromethyl)-1H-imidazol-5-yl]ethyl]acetamide
SMILESCC(=O)NCCc1[nH]c(C(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C9H9F6N3O/c1-4(19)16-3-2-5-6(8(10,11)12)18-7(17-5)9(13,14)15/h2-3H2,1H3,(H,16,19)(H,17,18)
InChIKeyYEPYPEPDSNQIIH-UHFFFAOYSA-N
MW289.18 g/mol
LogP2.13
Rot. Bonds3

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

N-[2-[2,4-bis(trifluoromethyl)-1H-imidazol-5-yl]ethyl]acetamide (PubChem CID 537876) has the molecular formula C9H9F6N3O and a molecular weight of 289.18 g/mol. Its IUPAC name is N-[2-[2,4-bis(trifluoromethyl)-1H-imidazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2,4-bis(trifluoromethyl)-1H-imidazol-5-yl]ethyl]acetamide
PubChem CID537876
Molecular FormulaC9H9F6N3O
Molecular Weight289.18 g/mol
Exact Mass289.06
IUPAC NameN-[2-[2,4-bis(trifluoromethyl)-1H-imidazol-5-yl]ethyl]acetamide
SMILESCC(=O)NCCc1[nH]c(C(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C9H9F6N3O/c1-4(19)16-3-2-5-6(8(10,11)12)18-7(17-5)9(13,14)15/h2-3H2,1H3,(H,16,19)(H,17,18)
InChIKeyYEPYPEPDSNQIIH-UHFFFAOYSA-N
XLogP2.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2,4-bis(trifluoromethyl)-1H-imidazol-5-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2,4-bis(trifluoromethyl)-1H-imidazol-5-yl]ethyl]acetamide (CID 537876) is N-[2-[2,4-bis(trifluoromethyl)-1H-imidazol-5-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2,4-bis(trifluoromethyl)-1H-imidazol-5-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2,4-bis(trifluoromethyl)-1H-imidazol-5-yl]ethyl]acetamide is CC(=O)NCCc1[nH]c(C(F)(F)F)nc1C(F)(F)F.
What is the InChIKey of N-[2-[2,4-bis(trifluoromethyl)-1H-imidazol-5-yl]ethyl]acetamide?
The InChIKey is YEPYPEPDSNQIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F6N3O/c1-4(19)16-3-2-5-6(8(10,11)12)18-7(17-5)9(13,14)15/h2-3H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-[2,4-bis(trifluoromethyl)-1H-imidazol-5-yl]ethyl]acetamide?
N-[2-[2,4-bis(trifluoromethyl)-1H-imidazol-5-yl]ethyl]acetamide has a molecular weight of 289.18 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2,4-bis(trifluoromethyl)-1H-imidazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 537876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).