2-[benzyl(1H-imidazol-2-ylmethyl)amino]ethanol

C13H17N3O — CID 130159418

IUPAC2-[benzyl(1H-imidazol-2-ylmethyl)amino]ethanol
SMILESOCCN(Cc1ccccc1)Cc1ncc[nH]1
InChIInChI=1S/C13H17N3O/c17-9-8-16(11-13-14-6-7-15-13)10-12-4-2-1-3-5-12/h1-7,17H,8-11H2,(H,14,15)
InChIKeyHWIHNLBHFBZVJP-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.40
Rot. Bonds6

About 2-[benzyl(1H-imidazol-2-ylmethyl)amino]ethanol

2-[benzyl(1H-imidazol-2-ylmethyl)amino]ethanol (PubChem CID 130159418) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[benzyl(1H-imidazol-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[benzyl(1H-imidazol-2-ylmethyl)amino]ethanol
PubChem CID130159418
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[benzyl(1H-imidazol-2-ylmethyl)amino]ethanol
SMILESOCCN(Cc1ccccc1)Cc1ncc[nH]1
InChIInChI=1S/C13H17N3O/c17-9-8-16(11-13-14-6-7-15-13)10-12-4-2-1-3-5-12/h1-7,17H,8-11H2,(H,14,15)
InChIKeyHWIHNLBHFBZVJP-UHFFFAOYSA-N
XLogP1.40
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(1H-imidazol-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[benzyl(1H-imidazol-2-ylmethyl)amino]ethanol (CID 130159418) is 2-[benzyl(1H-imidazol-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[benzyl(1H-imidazol-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[benzyl(1H-imidazol-2-ylmethyl)amino]ethanol is OCCN(Cc1ccccc1)Cc1ncc[nH]1.
What is the InChIKey of 2-[benzyl(1H-imidazol-2-ylmethyl)amino]ethanol?
The InChIKey is HWIHNLBHFBZVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c17-9-8-16(11-13-14-6-7-15-13)10-12-4-2-1-3-5-12/h1-7,17H,8-11H2,(H,14,15).
What are the key properties of 2-[benzyl(1H-imidazol-2-ylmethyl)amino]ethanol?
2-[benzyl(1H-imidazol-2-ylmethyl)amino]ethanol has a molecular weight of 231.30 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(1H-imidazol-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 130159418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).