2-butyl-5,5-bis(2-fluoroethyl)-1,4-dihydroimidazol-4-ol

C11H20F2N2O — CID 170353671

IUPAC2-butyl-5,5-bis(2-fluoroethyl)-1,4-dihydroimidazol-4-ol
SMILESCCCCC1=NC(O)C(CCF)(CCF)N1
InChIInChI=1S/C11H20F2N2O/c1-2-3-4-9-14-10(16)11(15-9,5-7-12)6-8-13/h10,16H,2-8H2,1H3,(H,14,15)
InChIKeyATQCRSUXZOIJSY-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.95
Rot. Bonds7

About 2-butyl-5,5-bis(2-fluoroethyl)-1,4-dihydroimidazol-4-ol

2-butyl-5,5-bis(2-fluoroethyl)-1,4-dihydroimidazol-4-ol (PubChem CID 170353671) has the molecular formula C11H20F2N2O and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-butyl-5,5-bis(2-fluoroethyl)-1,4-dihydroimidazol-4-ol.

Molecular Properties

Compound Name2-butyl-5,5-bis(2-fluoroethyl)-1,4-dihydroimidazol-4-ol
PubChem CID170353671
Molecular FormulaC11H20F2N2O
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name2-butyl-5,5-bis(2-fluoroethyl)-1,4-dihydroimidazol-4-ol
SMILESCCCCC1=NC(O)C(CCF)(CCF)N1
InChIInChI=1S/C11H20F2N2O/c1-2-3-4-9-14-10(16)11(15-9,5-7-12)6-8-13/h10,16H,2-8H2,1H3,(H,14,15)
InChIKeyATQCRSUXZOIJSY-UHFFFAOYSA-N
XLogP1.95
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5,5-bis(2-fluoroethyl)-1,4-dihydroimidazol-4-ol?
The IUPAC name of 2-butyl-5,5-bis(2-fluoroethyl)-1,4-dihydroimidazol-4-ol (CID 170353671) is 2-butyl-5,5-bis(2-fluoroethyl)-1,4-dihydroimidazol-4-ol.
What is the SMILES notation for 2-butyl-5,5-bis(2-fluoroethyl)-1,4-dihydroimidazol-4-ol?
The canonical SMILES for 2-butyl-5,5-bis(2-fluoroethyl)-1,4-dihydroimidazol-4-ol is CCCCC1=NC(O)C(CCF)(CCF)N1.
What is the InChIKey of 2-butyl-5,5-bis(2-fluoroethyl)-1,4-dihydroimidazol-4-ol?
The InChIKey is ATQCRSUXZOIJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O/c1-2-3-4-9-14-10(16)11(15-9,5-7-12)6-8-13/h10,16H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-butyl-5,5-bis(2-fluoroethyl)-1,4-dihydroimidazol-4-ol?
2-butyl-5,5-bis(2-fluoroethyl)-1,4-dihydroimidazol-4-ol has a molecular weight of 234.29 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5,5-bis(2-fluoroethyl)-1,4-dihydroimidazol-4-ol is sourced from PubChem (CID 170353671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).