1-[5-amino-1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]ethanol

C13H19N3O3 — CID 55091268

IUPAC1-[5-amino-1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2cc(N)ccc2n1CCOCCO
InChIInChI=1S/C13H19N3O3/c1-9(18)13-15-11-8-10(14)2-3-12(11)16(13)4-6-19-7-5-17/h2-3,8-9,17-18H,4-7,14H2,1H3
InChIKeyNNXFXHUIWLRVQI-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.68
Rot. Bonds6

About 1-[5-amino-1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]ethanol

1-[5-amino-1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]ethanol (PubChem CID 55091268) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[5-amino-1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-amino-1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]ethanol
PubChem CID55091268
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-[5-amino-1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2cc(N)ccc2n1CCOCCO
InChIInChI=1S/C13H19N3O3/c1-9(18)13-15-11-8-10(14)2-3-12(11)16(13)4-6-19-7-5-17/h2-3,8-9,17-18H,4-7,14H2,1H3
InChIKeyNNXFXHUIWLRVQI-UHFFFAOYSA-N
XLogP0.68
TPSA93.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-(5-amino-2-methylbenzimidazol-1-yl)ethoxy]ethanol
CID 62499134
1-[5-amino-1-(4-propan-2-yloxybutyl)benzimidazol-2-yl]ethanol
CID 106008330
methyl 3-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]propanoate
CID 55091800
1-[1-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethyl]benzimidazol-2-yl]ethanol
CID 58049613
1-[1-[2-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethoxy]ethyl]benzimidazol-2-yl]ethanol
CID 66663003
4-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]butanamide
CID 55091707
2-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethoxy]acetamide
CID 106240243
1-[5-amino-1-[4-(dimethylamino)butyl]benzimidazol-2-yl]ethanol
CID 62595828
(1R)-1-[5-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol
CID 51977609
2-[2-(5-amino-2-cyclopropylbenzimidazol-1-yl)ethoxy]ethanol
CID 62499135
1-[5-amino-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazol-2-yl]ethanol
CID 106106443
1-[5-amino-1-[2-(furan-2-yl)ethyl]benzimidazol-2-yl]ethanol
CID 62594347

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]ethanol?
The IUPAC name of 1-[5-amino-1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]ethanol (CID 55091268) is 1-[5-amino-1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]ethanol.
What is the SMILES notation for 1-[5-amino-1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]ethanol?
The canonical SMILES for 1-[5-amino-1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]ethanol is CC(O)c1nc2cc(N)ccc2n1CCOCCO.
What is the InChIKey of 1-[5-amino-1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]ethanol?
The InChIKey is NNXFXHUIWLRVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(18)13-15-11-8-10(14)2-3-12(11)16(13)4-6-19-7-5-17/h2-3,8-9,17-18H,4-7,14H2,1H3.
What are the key properties of 1-[5-amino-1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]ethanol?
1-[5-amino-1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]ethanol has a molecular weight of 265.31 g/mol, XLogP of 0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]ethanol is sourced from PubChem (CID 55091268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).