3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-4-methylpentan-1-ol

C11H19F2N3O — CID 103701032

IUPAC3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)NCc1nccn1C(F)F
InChIInChI=1S/C11H19F2N3O/c1-8(2)9(3-6-17)15-7-10-14-4-5-16(10)11(12)13/h4-5,8-9,11,15,17H,3,6-7H2,1-2H3
InChIKeyZEIUCANMDFQFNT-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.77
Rot. Bonds7

About 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-4-methylpentan-1-ol

3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-4-methylpentan-1-ol (PubChem CID 103701032) has the molecular formula C11H19F2N3O and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-4-methylpentan-1-ol
PubChem CID103701032
Molecular FormulaC11H19F2N3O
Molecular Weight247.29 g/mol
Exact Mass247.15
IUPAC Name3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)NCc1nccn1C(F)F
InChIInChI=1S/C11H19F2N3O/c1-8(2)9(3-6-17)15-7-10-14-4-5-16(10)11(12)13/h4-5,8-9,11,15,17H,3,6-7H2,1-2H3
InChIKeyZEIUCANMDFQFNT-UHFFFAOYSA-N
XLogP1.77
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-4-methylpentan-1-ol?
The IUPAC name of 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-4-methylpentan-1-ol (CID 103701032) is 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-4-methylpentan-1-ol is CC(C)C(CCO)NCc1nccn1C(F)F.
What is the InChIKey of 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-4-methylpentan-1-ol?
The InChIKey is ZEIUCANMDFQFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N3O/c1-8(2)9(3-6-17)15-7-10-14-4-5-16(10)11(12)13/h4-5,8-9,11,15,17H,3,6-7H2,1-2H3.
What are the key properties of 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-4-methylpentan-1-ol?
3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-4-methylpentan-1-ol has a molecular weight of 247.29 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-4-methylpentan-1-ol is sourced from PubChem (CID 103701032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).