2-[(6-ethoxy-1H-benzimidazol-2-yl)amino]ethanol

C11H15N3O2 — CID 651466

IUPAC2-[(6-ethoxy-1H-benzimidazol-2-yl)amino]ethanol
SMILESCCOc1ccc2nc(NCCO)[nH]c2c1
InChIInChI=1S/C11H15N3O2/c1-2-16-8-3-4-9-10(7-8)14-11(13-9)12-5-6-15/h3-4,7,15H,2,5-6H2,1H3,(H2,12,13,14)
InChIKeyWBOZZYVRQGMWHG-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.37
Rot. Bonds5

About 2-[(6-ethoxy-1H-benzimidazol-2-yl)amino]ethanol

2-[(6-ethoxy-1H-benzimidazol-2-yl)amino]ethanol (PubChem CID 651466) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[(6-ethoxy-1H-benzimidazol-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-ethoxy-1H-benzimidazol-2-yl)amino]ethanol
PubChem CID651466
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-[(6-ethoxy-1H-benzimidazol-2-yl)amino]ethanol
SMILESCCOc1ccc2nc(NCCO)[nH]c2c1
InChIInChI=1S/C11H15N3O2/c1-2-16-8-3-4-9-10(7-8)14-11(13-9)12-5-6-15/h3-4,7,15H,2,5-6H2,1H3,(H2,12,13,14)
InChIKeyWBOZZYVRQGMWHG-UHFFFAOYSA-N
XLogP1.37
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Oxibendazole
CID 4622
Fabomotizole
CID 9862937
2-Amino-1H-benzimidazol-5-ol
CID 162636
5-methoxy-1H-benzimidazole
CID 78598
Methyl 5-hydroxybenzimidazol-2-ylcarbamate
CID 115152
2-[(4-methoxyphenoxy)methyl]-1H-benzimidazole
CID 394278
5-methoxy-2-methyl-1H-1,3-benzodiazole
CID 3509826
5-ethoxy-1-phenyl-1H-1,3-benzodiazole
CID 5328497
1-phenyl-5-propoxy-1H-1,3-benzodiazole
CID 5328498
1-phenyl-5-(prop-2-en-1-yloxy)-1H-1,3-benzodiazole
CID 5328501
4-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]butan-1-ol
CID 5328502
5-Substituted 1-Phenylbenzimidazole 15
CID 5328505

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxy-1H-benzimidazol-2-yl)amino]ethanol?
The IUPAC name of 2-[(6-ethoxy-1H-benzimidazol-2-yl)amino]ethanol (CID 651466) is 2-[(6-ethoxy-1H-benzimidazol-2-yl)amino]ethanol.
What is the SMILES notation for 2-[(6-ethoxy-1H-benzimidazol-2-yl)amino]ethanol?
The canonical SMILES for 2-[(6-ethoxy-1H-benzimidazol-2-yl)amino]ethanol is CCOc1ccc2nc(NCCO)[nH]c2c1.
What is the InChIKey of 2-[(6-ethoxy-1H-benzimidazol-2-yl)amino]ethanol?
The InChIKey is WBOZZYVRQGMWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-2-16-8-3-4-9-10(7-8)14-11(13-9)12-5-6-15/h3-4,7,15H,2,5-6H2,1H3,(H2,12,13,14).
What are the key properties of 2-[(6-ethoxy-1H-benzimidazol-2-yl)amino]ethanol?
2-[(6-ethoxy-1H-benzimidazol-2-yl)amino]ethanol has a molecular weight of 221.26 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxy-1H-benzimidazol-2-yl)amino]ethanol is sourced from PubChem (CID 651466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).