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

C17H16N4O2S — CID 51072391

IUPAC2-[[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]amino]ethanol
SMILESOCCNc1nc2ccccc2n1Cc1coc(-c2cccs2)n1
InChIInChI=1S/C17H16N4O2S/c22-8-7-18-17-20-13-4-1-2-5-14(13)21(17)10-12-11-23-16(19-12)15-6-3-9-24-15/h1-6,9,11,22H,7-8,10H2,(H,18,20)
InChIKeyRGWZPNQYXURKKC-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.21
Rot. Bonds6

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

2-[[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]amino]ethanol (PubChem CID 51072391) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-[[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]amino]ethanol
PubChem CID51072391
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name2-[[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]amino]ethanol
SMILESOCCNc1nc2ccccc2n1Cc1coc(-c2cccs2)n1
InChIInChI=1S/C17H16N4O2S/c22-8-7-18-17-20-13-4-1-2-5-14(13)21(17)10-12-11-23-16(19-12)15-6-3-9-24-15/h1-6,9,11,22H,7-8,10H2,(H,18,20)
InChIKeyRGWZPNQYXURKKC-UHFFFAOYSA-N
XLogP3.21
TPSA76.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]amino]ethanol?
The IUPAC name of 2-[[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]amino]ethanol (CID 51072391) is 2-[[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]amino]ethanol?
The canonical SMILES for 2-[[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]amino]ethanol is OCCNc1nc2ccccc2n1Cc1coc(-c2cccs2)n1.
What is the InChIKey of 2-[[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]amino]ethanol?
The InChIKey is RGWZPNQYXURKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c22-8-7-18-17-20-13-4-1-2-5-14(13)21(17)10-12-11-23-16(19-12)15-6-3-9-24-15/h1-6,9,11,22H,7-8,10H2,(H,18,20).
What are the key properties of 2-[[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]amino]ethanol?
2-[[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]amino]ethanol has a molecular weight of 340.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]amino]ethanol is sourced from PubChem (CID 51072391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).