2-amino-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethanol

C12H17N3O2 — CID 66167951

IUPAC2-amino-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethanol
SMILESCOCCn1c(C(O)CN)nc2ccccc21
InChIInChI=1S/C12H17N3O2/c1-17-7-6-15-10-5-3-2-4-9(10)14-12(15)11(16)8-13/h2-5,11,16H,6-8,13H2,1H3
InChIKeyZBMDPHANLMJOFA-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.67
Rot. Bonds5

About 2-amino-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethanol

2-amino-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethanol (PubChem CID 66167951) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-amino-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethanol
PubChem CID66167951
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-amino-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethanol
SMILESCOCCn1c(C(O)CN)nc2ccccc21
InChIInChI=1S/C12H17N3O2/c1-17-7-6-15-10-5-3-2-4-9(10)14-12(15)11(16)8-13/h2-5,11,16H,6-8,13H2,1H3
InChIKeyZBMDPHANLMJOFA-UHFFFAOYSA-N
XLogP0.67
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-[1-(2-methoxyethyl)benzimidazol-2-yl]-phenylmethanol
CID 40699008
2-methoxy-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethanamine
CID 81078269
1-[1-(2-methoxyethyl)benzimidazol-2-yl]propan-1-amine
CID 62388121
1-[1-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethyl]benzimidazol-2-yl]ethanol
CID 58049613
2-[2-(2-amino-1-methoxyethyl)benzimidazol-1-yl]ethanol
CID 106108732
1-[1-[2-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethoxy]ethyl]benzimidazol-2-yl]ethanol
CID 66663003
2-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]ethanamine
CID 82144555
(1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]propan-1-ol
CID 40699156
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971833
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619750
[1-[1-(2-methoxyethyl)benzimidazol-2-yl]cyclopropyl]methanamine
CID 115450576
1-(2-methoxyethyl)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 51430294

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethanol?
The IUPAC name of 2-amino-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethanol (CID 66167951) is 2-amino-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethanol.
What is the SMILES notation for 2-amino-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethanol?
The canonical SMILES for 2-amino-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethanol is COCCn1c(C(O)CN)nc2ccccc21.
What is the InChIKey of 2-amino-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethanol?
The InChIKey is ZBMDPHANLMJOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-17-7-6-15-10-5-3-2-4-9(10)14-12(15)11(16)8-13/h2-5,11,16H,6-8,13H2,1H3.
What are the key properties of 2-amino-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethanol?
2-amino-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethanol has a molecular weight of 235.29 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethanol is sourced from PubChem (CID 66167951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).