2-[1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol

C12H15F2N3O — CID 82336620

IUPAC2-[1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol
SMILESCC(c1nc2cc(F)c(F)cc2[nH]1)N(C)CCO
InChIInChI=1S/C12H15F2N3O/c1-7(17(2)3-4-18)12-15-10-5-8(13)9(14)6-11(10)16-12/h5-7,18H,3-4H2,1-2H3,(H,15,16)
InChIKeyKQRDFRITWJFJND-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.83
Rot. Bonds4

About 2-[1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol

2-[1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol (PubChem CID 82336620) has the molecular formula C12H15F2N3O and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-[1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol
PubChem CID82336620
Molecular FormulaC12H15F2N3O
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-[1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol
SMILESCC(c1nc2cc(F)c(F)cc2[nH]1)N(C)CCO
InChIInChI=1S/C12H15F2N3O/c1-7(17(2)3-4-18)12-15-10-5-8(13)9(14)6-11(10)16-12/h5-7,18H,3-4H2,1-2H3,(H,15,16)
InChIKeyKQRDFRITWJFJND-UHFFFAOYSA-N
XLogP1.83
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol?
The IUPAC name of 2-[1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol (CID 82336620) is 2-[1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol.
What is the SMILES notation for 2-[1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol?
The canonical SMILES for 2-[1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol is CC(c1nc2cc(F)c(F)cc2[nH]1)N(C)CCO.
What is the InChIKey of 2-[1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol?
The InChIKey is KQRDFRITWJFJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O/c1-7(17(2)3-4-18)12-15-10-5-8(13)9(14)6-11(10)16-12/h5-7,18H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol?
2-[1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol has a molecular weight of 255.27 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol is sourced from PubChem (CID 82336620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).