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

C12H17N3O3 — CID 82563027

IUPAC2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)-methylamino]ethanol
SMILESCOc1cc2nc(N(C)CCO)[nH]c2cc1OC
InChIInChI=1S/C12H17N3O3/c1-15(4-5-16)12-13-8-6-10(17-2)11(18-3)7-9(8)14-12/h6-7,16H,4-5H2,1-3H3,(H,13,14)
InChIKeySSQLJCYWPIIRMD-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.01
Rot. Bonds5

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

2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)-methylamino]ethanol (PubChem CID 82563027) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)-methylamino]ethanol.

Molecular Properties

Compound Name2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)-methylamino]ethanol
PubChem CID82563027
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)-methylamino]ethanol
SMILESCOc1cc2nc(N(C)CCO)[nH]c2cc1OC
InChIInChI=1S/C12H17N3O3/c1-15(4-5-16)12-13-8-6-10(17-2)11(18-3)7-9(8)14-12/h6-7,16H,4-5H2,1-3H3,(H,13,14)
InChIKeySSQLJCYWPIIRMD-UHFFFAOYSA-N
XLogP1.01
TPSA70.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)-methylamino]ethanol?
The IUPAC name of 2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)-methylamino]ethanol (CID 82563027) is 2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)-methylamino]ethanol.
What is the SMILES notation for 2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)-methylamino]ethanol?
The canonical SMILES for 2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)-methylamino]ethanol is COc1cc2nc(N(C)CCO)[nH]c2cc1OC.
What is the InChIKey of 2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)-methylamino]ethanol?
The InChIKey is SSQLJCYWPIIRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-15(4-5-16)12-13-8-6-10(17-2)11(18-3)7-9(8)14-12/h6-7,16H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)-methylamino]ethanol?
2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)-methylamino]ethanol has a molecular weight of 251.29 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)-methylamino]ethanol is sourced from PubChem (CID 82563027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).