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

C12H17N3O2 — CID 106108732

IUPAC2-[2-(2-amino-1-methoxyethyl)benzimidazol-1-yl]ethanol
SMILESCOC(CN)c1nc2ccccc2n1CCO
InChIInChI=1S/C12H17N3O2/c1-17-11(8-13)12-14-9-4-2-3-5-10(9)15(12)6-7-16/h2-5,11,16H,6-8,13H2,1H3
InChIKeyFUPYKBBPRZUISS-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.67
Rot. Bonds5

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

2-[2-(2-amino-1-methoxyethyl)benzimidazol-1-yl]ethanol (PubChem CID 106108732) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[2-(2-amino-1-methoxyethyl)benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(2-amino-1-methoxyethyl)benzimidazol-1-yl]ethanol
PubChem CID106108732
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-[2-(2-amino-1-methoxyethyl)benzimidazol-1-yl]ethanol
SMILESCOC(CN)c1nc2ccccc2n1CCO
InChIInChI=1S/C12H17N3O2/c1-17-11(8-13)12-14-9-4-2-3-5-10(9)15(12)6-7-16/h2-5,11,16H,6-8,13H2,1H3
InChIKeyFUPYKBBPRZUISS-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

2-methoxy-2-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]ethanamine
CID 106108743
2-(1-tert-butylbenzimidazol-2-yl)-2-methoxyethanamine
CID 114144442
2-amino-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethanol
CID 66167951
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
3-amino-3-(1-propylbenzimidazol-2-yl)propan-1-ol
CID 61228731
2-methoxy-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethanamine
CID 81078269
1-[1-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethyl]benzimidazol-2-yl]ethanol
CID 58049613
1-[1-(2-methoxyethyl)benzimidazol-2-yl]propan-1-amine
CID 62388121
2-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]ethanamine
CID 82144555
3-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propan-1-ol
CID 82311877
2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol
CID 174213303
1-[1-(2-hydroxyethyl)benzimidazol-2-yl]ethanone
CID 12515570

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-1-methoxyethyl)benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-(2-amino-1-methoxyethyl)benzimidazol-1-yl]ethanol (CID 106108732) is 2-[2-(2-amino-1-methoxyethyl)benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-(2-amino-1-methoxyethyl)benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-(2-amino-1-methoxyethyl)benzimidazol-1-yl]ethanol is COC(CN)c1nc2ccccc2n1CCO.
What is the InChIKey of 2-[2-(2-amino-1-methoxyethyl)benzimidazol-1-yl]ethanol?
The InChIKey is FUPYKBBPRZUISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-17-11(8-13)12-14-9-4-2-3-5-10(9)15(12)6-7-16/h2-5,11,16H,6-8,13H2,1H3.
What are the key properties of 2-[2-(2-amino-1-methoxyethyl)benzimidazol-1-yl]ethanol?
2-[2-(2-amino-1-methoxyethyl)benzimidazol-1-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-[2-(2-amino-1-methoxyethyl)benzimidazol-1-yl]ethanol is sourced from PubChem (CID 106108732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).