2-[[1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol

C19H17FN4O2 — CID 17466994

IUPAC2-[[1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol
SMILESOCCNc1nc2ccccc2n1Cc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C19H17FN4O2/c20-14-7-5-13(6-8-14)17-11-22-18(26-17)12-24-16-4-2-1-3-15(16)23-19(24)21-9-10-25/h1-8,11,25H,9-10,12H2,(H,21,23)
InChIKeyWYZJRMJFYNIPKF-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.28
Rot. Bonds6

About 2-[[1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol

2-[[1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol (PubChem CID 17466994) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 2-[[1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol
PubChem CID17466994
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name2-[[1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol
SMILESOCCNc1nc2ccccc2n1Cc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C19H17FN4O2/c20-14-7-5-13(6-8-14)17-11-22-18(26-17)12-24-16-4-2-1-3-15(16)23-19(24)21-9-10-25/h1-8,11,25H,9-10,12H2,(H,21,23)
InChIKeyWYZJRMJFYNIPKF-UHFFFAOYSA-N
XLogP3.28
TPSA76.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol?
The IUPAC name of 2-[[1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol (CID 17466994) is 2-[[1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol?
The canonical SMILES for 2-[[1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol is OCCNc1nc2ccccc2n1Cc1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of 2-[[1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol?
The InChIKey is WYZJRMJFYNIPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c20-14-7-5-13(6-8-14)17-11-22-18(26-17)12-24-16-4-2-1-3-15(16)23-19(24)21-9-10-25/h1-8,11,25H,9-10,12H2,(H,21,23).
What are the key properties of 2-[[1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol?
2-[[1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol has a molecular weight of 352.37 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol is sourced from PubChem (CID 17466994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).