2,2,2-trifluoro-N-(6-imidazol-1-ylhexyl)acetamide

C11H16F3N3O — CID 110443177

IUPAC2,2,2-trifluoro-N-(6-imidazol-1-ylhexyl)acetamide
SMILESO=C(NCCCCCCn1ccnc1)C(F)(F)F
InChIInChI=1S/C11H16F3N3O/c12-11(13,14)10(18)16-5-3-1-2-4-7-17-8-6-15-9-17/h6,8-9H,1-5,7H2,(H,16,18)
InChIKeyMPXUVMXAHIFCGH-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.12
Rot. Bonds7

About 2,2,2-trifluoro-N-(6-imidazol-1-ylhexyl)acetamide

2,2,2-trifluoro-N-(6-imidazol-1-ylhexyl)acetamide (PubChem CID 110443177) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(6-imidazol-1-ylhexyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(6-imidazol-1-ylhexyl)acetamide
PubChem CID110443177
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name2,2,2-trifluoro-N-(6-imidazol-1-ylhexyl)acetamide
SMILESO=C(NCCCCCCn1ccnc1)C(F)(F)F
InChIInChI=1S/C11H16F3N3O/c12-11(13,14)10(18)16-5-3-1-2-4-7-17-8-6-15-9-17/h6,8-9H,1-5,7H2,(H,16,18)
InChIKeyMPXUVMXAHIFCGH-UHFFFAOYSA-N
XLogP2.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-imidazol-1-ylbutyl)-3-methylurea
CID 115589253
2-chloro-N-(4-imidazol-1-ylbutyl)acetamide;hydrochloride
CID 146083026
3-imidazol-1-ylpropylurea
CID 22179621
N-(4-imidazol-1-ylbutyl)-2-methyl-3-(methylamino)propanamide
CID 79201805
2-(ethylamino)-N-(2-imidazol-1-ylethyl)-2-methylpropanamide
CID 62836681
2-cyano-N-(6-imidazol-1-ylhexyl)acetamide
CID 110444916
2-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]sulfanylacetic acid
CID 104569804
N-(5-imidazol-1-ylpentyl)-3-methylbutanamide
CID 110442138
2-bromo-N-(4-imidazol-1-ylbutyl)propanamide
CID 107905070
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
2-hydroxy-N-(2-imidazol-1-ylethyl)-2-methylpropanamide
CID 103429654
N-(4-imidazol-1-ylbutyl)but-2-enamide
CID 78968417

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(6-imidazol-1-ylhexyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(6-imidazol-1-ylhexyl)acetamide (CID 110443177) is 2,2,2-trifluoro-N-(6-imidazol-1-ylhexyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(6-imidazol-1-ylhexyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(6-imidazol-1-ylhexyl)acetamide is O=C(NCCCCCCn1ccnc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(6-imidazol-1-ylhexyl)acetamide?
The InChIKey is MPXUVMXAHIFCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c12-11(13,14)10(18)16-5-3-1-2-4-7-17-8-6-15-9-17/h6,8-9H,1-5,7H2,(H,16,18).
What are the key properties of 2,2,2-trifluoro-N-(6-imidazol-1-ylhexyl)acetamide?
2,2,2-trifluoro-N-(6-imidazol-1-ylhexyl)acetamide has a molecular weight of 263.26 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(6-imidazol-1-ylhexyl)acetamide is sourced from PubChem (CID 110443177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).