1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylbutan-2-ol

C10H17F2N3O — CID 64689138

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNCc1nccn1C(F)F
InChIInChI=1S/C10H17F2N3O/c1-3-10(2,16)7-13-6-8-14-4-5-15(8)9(11)12/h4-5,9,13,16H,3,6-7H2,1-2H3
InChIKeyKKOLOWMDFQXUGZ-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.53
Rot. Bonds6

About 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylbutan-2-ol

1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylbutan-2-ol (PubChem CID 64689138) has the molecular formula C10H17F2N3O and a molecular weight of 233.26 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylbutan-2-ol
PubChem CID64689138
Molecular FormulaC10H17F2N3O
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNCc1nccn1C(F)F
InChIInChI=1S/C10H17F2N3O/c1-3-10(2,16)7-13-6-8-14-4-5-15(8)9(11)12/h4-5,9,13,16H,3,6-7H2,1-2H3
InChIKeyKKOLOWMDFQXUGZ-UHFFFAOYSA-N
XLogP1.53
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylbutan-2-ol?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylbutan-2-ol (CID 64689138) is 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylbutan-2-ol is CCC(C)(O)CNCc1nccn1C(F)F.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylbutan-2-ol?
The InChIKey is KKOLOWMDFQXUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3O/c1-3-10(2,16)7-13-6-8-14-4-5-15(8)9(11)12/h4-5,9,13,16H,3,6-7H2,1-2H3.
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylbutan-2-ol?
1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylbutan-2-ol has a molecular weight of 233.26 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 64689138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).