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

C19H19N5O2 — CID 71918846

IUPAC2-[[1-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzimidazol-2-yl]amino]ethanol
SMILESCc1ccccc1-c1nc(Cn2c(NCCO)nc3ccccc32)no1
InChIInChI=1S/C19H19N5O2/c1-13-6-2-3-7-14(13)18-22-17(23-26-18)12-24-16-9-5-4-8-15(16)21-19(24)20-10-11-25/h2-9,25H,10-12H2,1H3,(H,20,21)
InChIKeyVEABWHVBJTUJIE-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.85
Rot. Bonds6

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

2-[[1-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzimidazol-2-yl]amino]ethanol (PubChem CID 71918846) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[[1-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzimidazol-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[1-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzimidazol-2-yl]amino]ethanol
PubChem CID71918846
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name2-[[1-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzimidazol-2-yl]amino]ethanol
SMILESCc1ccccc1-c1nc(Cn2c(NCCO)nc3ccccc32)no1
InChIInChI=1S/C19H19N5O2/c1-13-6-2-3-7-14(13)18-22-17(23-26-18)12-24-16-9-5-4-8-15(16)21-19(24)20-10-11-25/h2-9,25H,10-12H2,1H3,(H,20,21)
InChIKeyVEABWHVBJTUJIE-UHFFFAOYSA-N
XLogP2.85
TPSA89.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzimidazol-2-yl]amino]ethanol?
The IUPAC name of 2-[[1-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzimidazol-2-yl]amino]ethanol (CID 71918846) is 2-[[1-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzimidazol-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[1-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzimidazol-2-yl]amino]ethanol?
The canonical SMILES for 2-[[1-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzimidazol-2-yl]amino]ethanol is Cc1ccccc1-c1nc(Cn2c(NCCO)nc3ccccc32)no1.
What is the InChIKey of 2-[[1-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzimidazol-2-yl]amino]ethanol?
The InChIKey is VEABWHVBJTUJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-13-6-2-3-7-14(13)18-22-17(23-26-18)12-24-16-9-5-4-8-15(16)21-19(24)20-10-11-25/h2-9,25H,10-12H2,1H3,(H,20,21).
What are the key properties of 2-[[1-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzimidazol-2-yl]amino]ethanol?
2-[[1-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzimidazol-2-yl]amino]ethanol has a molecular weight of 349.39 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzimidazol-2-yl]amino]ethanol is sourced from PubChem (CID 71918846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).