2-[1-(6-methoxy-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol

C13H19N3O2 — CID 82336077

IUPAC2-[1-(6-methoxy-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol
SMILESCOc1ccc2nc(C(C)N(C)CCO)[nH]c2c1
InChIInChI=1S/C13H19N3O2/c1-9(16(2)6-7-17)13-14-11-5-4-10(18-3)8-12(11)15-13/h4-5,8-9,17H,6-7H2,1-3H3,(H,14,15)
InChIKeyJTYRGDRBLMQJED-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.56
Rot. Bonds5

About 2-[1-(6-methoxy-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol

2-[1-(6-methoxy-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol (PubChem CID 82336077) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[1-(6-methoxy-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[1-(6-methoxy-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol
PubChem CID82336077
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[1-(6-methoxy-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol
SMILESCOc1ccc2nc(C(C)N(C)CCO)[nH]c2c1
InChIInChI=1S/C13H19N3O2/c1-9(16(2)6-7-17)13-14-11-5-4-10(18-3)8-12(11)15-13/h4-5,8-9,17H,6-7H2,1-3H3,(H,14,15)
InChIKeyJTYRGDRBLMQJED-UHFFFAOYSA-N
XLogP1.56
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(6-methoxy-1H-benzimidazol-2-yl)ethyl-methylamino]propanoic acid
CID 82336086
2-[1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol
CID 82336620
2-[1-(6-ethoxy-1H-benzimidazol-2-yl)ethyl-ethylamino]ethanol
CID 82336047
6-methoxy-2-pentan-2-yl-1H-benzimidazole
CID 65017601
(6-methoxy-1H-benzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 89433863
(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 67626319
2-(6-methoxy-1H-benzimidazol-2-yl)butan-1-amine
CID 65220884
2-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)ethanamine
CID 81078800
3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol
CID 84816333
(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethanamine
CID 121471175
6-(6-methoxy-1H-benzimidazol-2-yl)heptan-2-amine
CID 65285979
ethyl 3-[methyl-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]propanoate
CID 82336165

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-methoxy-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol?
The IUPAC name of 2-[1-(6-methoxy-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol (CID 82336077) is 2-[1-(6-methoxy-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol.
What is the SMILES notation for 2-[1-(6-methoxy-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol?
The canonical SMILES for 2-[1-(6-methoxy-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol is COc1ccc2nc(C(C)N(C)CCO)[nH]c2c1.
What is the InChIKey of 2-[1-(6-methoxy-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol?
The InChIKey is JTYRGDRBLMQJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(16(2)6-7-17)13-14-11-5-4-10(18-3)8-12(11)15-13/h4-5,8-9,17H,6-7H2,1-3H3,(H,14,15).
What are the key properties of 2-[1-(6-methoxy-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol?
2-[1-(6-methoxy-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol has a molecular weight of 249.31 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-methoxy-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol is sourced from PubChem (CID 82336077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).