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

C13H19N3O3 — CID 82336811

IUPAC2-[2-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethylamino]ethanol
SMILESCOc1cc2nc(CCNCCO)[nH]c2cc1OC
InChIInChI=1S/C13H19N3O3/c1-18-11-7-9-10(8-12(11)19-2)16-13(15-9)3-4-14-5-6-17/h7-8,14,17H,3-6H2,1-2H3,(H,15,16)
InChIKeyOTRXIHQCTNSYKA-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.70
Rot. Bonds7

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

2-[2-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethylamino]ethanol (PubChem CID 82336811) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[2-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethylamino]ethanol
PubChem CID82336811
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[2-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethylamino]ethanol
SMILESCOc1cc2nc(CCNCCO)[nH]c2cc1OC
InChIInChI=1S/C13H19N3O3/c1-18-11-7-9-10(8-12(11)19-2)16-13(15-9)3-4-14-5-6-17/h7-8,14,17H,3-6H2,1-2H3,(H,15,16)
InChIKeyOTRXIHQCTNSYKA-UHFFFAOYSA-N
XLogP0.70
TPSA79.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 55150957
2-(chloromethyl)-5,6-dimethoxy-1H-benzimidazole;hydrochloride
CID 75481538
2-(5,6-dimethoxy-1H-benzimidazol-2-yl)acetic acid
CID 61366087
5,6-dimethoxy-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
CID 39158365
N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]pyridin-4-amine
CID 14456519
N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
CID 82336896
2-(1H-benzimidazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
CID 66526954
2-[2-[2-(6-ethyl-1H-benzimidazol-2-yl)ethylamino]ethoxy]ethanol
CID 82337062
2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)-methylamino]ethanol
CID 82563027
2-benzyl-5,6-dimethoxy-1H-benzimidazole
CID 39158335
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
CID 82336889
2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methylsulfanyl]acetic acid
CID 104570586

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethylamino]ethanol?
The IUPAC name of 2-[2-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethylamino]ethanol (CID 82336811) is 2-[2-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethylamino]ethanol.
What is the SMILES notation for 2-[2-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethylamino]ethanol?
The canonical SMILES for 2-[2-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethylamino]ethanol is COc1cc2nc(CCNCCO)[nH]c2cc1OC.
What is the InChIKey of 2-[2-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethylamino]ethanol?
The InChIKey is OTRXIHQCTNSYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-18-11-7-9-10(8-12(11)19-2)16-13(15-9)3-4-14-5-6-17/h7-8,14,17H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethylamino]ethanol?
2-[2-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethylamino]ethanol has a molecular weight of 265.31 g/mol, XLogP of 0.70, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethylamino]ethanol is sourced from PubChem (CID 82336811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).