2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-1-thiophen-3-ylethanol

C11H13F2N3OS — CID 113240080

IUPAC2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-1-thiophen-3-ylethanol
SMILESOC(CNCc1nccn1C(F)F)c1ccsc1
InChIInChI=1S/C11H13F2N3OS/c12-11(13)16-3-2-15-10(16)6-14-5-9(17)8-1-4-18-7-8/h1-4,7,9,11,14,17H,5-6H2
InChIKeyCCSLLBZJUMXHGK-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.16
Rot. Bonds6

About 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-1-thiophen-3-ylethanol

2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-1-thiophen-3-ylethanol (PubChem CID 113240080) has the molecular formula C11H13F2N3OS and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-1-thiophen-3-ylethanol
PubChem CID113240080
Molecular FormulaC11H13F2N3OS
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Name2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-1-thiophen-3-ylethanol
SMILESOC(CNCc1nccn1C(F)F)c1ccsc1
InChIInChI=1S/C11H13F2N3OS/c12-11(13)16-3-2-15-10(16)6-14-5-9(17)8-1-4-18-7-8/h1-4,7,9,11,14,17H,5-6H2
InChIKeyCCSLLBZJUMXHGK-UHFFFAOYSA-N
XLogP2.16
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-1-thiophen-3-ylethanol (CID 113240080) is 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-1-thiophen-3-ylethanol is OC(CNCc1nccn1C(F)F)c1ccsc1.
What is the InChIKey of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-1-thiophen-3-ylethanol?
The InChIKey is CCSLLBZJUMXHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3OS/c12-11(13)16-3-2-15-10(16)6-14-5-9(17)8-1-4-18-7-8/h1-4,7,9,11,14,17H,5-6H2.
What are the key properties of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-1-thiophen-3-ylethanol?
2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-1-thiophen-3-ylethanol has a molecular weight of 273.31 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 113240080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).