2-[2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]benzimidazol-1-yl]ethanol

C18H19N3O2 — CID 56706744

IUPAC2-[2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]benzimidazol-1-yl]ethanol
SMILESNCC1Cc2cccc(-c3nc4ccccc4n3CCO)c2O1
InChIInChI=1S/C18H19N3O2/c19-11-13-10-12-4-3-5-14(17(12)23-13)18-20-15-6-1-2-7-16(15)21(18)8-9-22/h1-7,13,22H,8-11,19H2
InChIKeyUWHWPJSJIHIQFF-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.96
Rot. Bonds4

About 2-[2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]benzimidazol-1-yl]ethanol

2-[2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]benzimidazol-1-yl]ethanol (PubChem CID 56706744) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]benzimidazol-1-yl]ethanol
PubChem CID56706744
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-[2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]benzimidazol-1-yl]ethanol
SMILESNCC1Cc2cccc(-c3nc4ccccc4n3CCO)c2O1
InChIInChI=1S/C18H19N3O2/c19-11-13-10-12-4-3-5-14(17(12)23-13)18-20-15-6-1-2-7-16(15)21(18)8-9-22/h1-7,13,22H,8-11,19H2
InChIKeyUWHWPJSJIHIQFF-UHFFFAOYSA-N
XLogP1.96
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]benzimidazol-1-yl]ethanol (CID 56706744) is 2-[2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]benzimidazol-1-yl]ethanol is NCC1Cc2cccc(-c3nc4ccccc4n3CCO)c2O1.
What is the InChIKey of 2-[2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]benzimidazol-1-yl]ethanol?
The InChIKey is UWHWPJSJIHIQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c19-11-13-10-12-4-3-5-14(17(12)23-13)18-20-15-6-1-2-7-16(15)21(18)8-9-22/h1-7,13,22H,8-11,19H2.
What are the key properties of 2-[2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]benzimidazol-1-yl]ethanol?
2-[2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]benzimidazol-1-yl]ethanol has a molecular weight of 309.37 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]benzimidazol-1-yl]ethanol is sourced from PubChem (CID 56706744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).