1-[1-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethyl]benzimidazol-2-yl]ethanol

C22H26N4O3 — CID 58049613

IUPAC1-[1-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethyl]benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2ccccc2n1CCOCCn1c(C(C)O)nc2ccccc21
InChIInChI=1S/C22H26N4O3/c1-15(27)21-23-17-7-3-5-9-19(17)25(21)11-13-29-14-12-26-20-10-6-4-8-18(20)24-22(26)16(2)28/h3-10,15-16,27-28H,11-14H2,1-2H3
InChIKeyLLWYTOGDBKXUMC-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.21
Rot. Bonds8

About 1-[1-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethyl]benzimidazol-2-yl]ethanol

1-[1-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethyl]benzimidazol-2-yl]ethanol (PubChem CID 58049613) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-[1-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethyl]benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethyl]benzimidazol-2-yl]ethanol
PubChem CID58049613
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name1-[1-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethyl]benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2ccccc2n1CCOCCn1c(C(C)O)nc2ccccc21
InChIInChI=1S/C22H26N4O3/c1-15(27)21-23-17-7-3-5-9-19(17)25(21)11-13-29-14-12-26-20-10-6-4-8-18(20)24-22(26)16(2)28/h3-10,15-16,27-28H,11-14H2,1-2H3
InChIKeyLLWYTOGDBKXUMC-UHFFFAOYSA-N
XLogP3.21
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[2-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethoxy]ethyl]benzimidazol-2-yl]ethanol
CID 66663003
(1S)-1-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 962321
(1S)-1-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 962325
2-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]ethanamine
CID 82144555
1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 16995352
1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 16995356
(1S)-1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 7025306
(1S)-1-(1-benzylbenzimidazol-2-yl)ethanol
CID 764782
(S)-[1-(2-ethoxyethyl)benzimidazol-2-yl]-phenylmethanol
CID 6998450
1-[5-amino-1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]ethanol
CID 55091268
1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethanol
CID 18879025
(1R)-1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]ethanol
CID 6998441

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethyl]benzimidazol-2-yl]ethanol?
The IUPAC name of 1-[1-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethyl]benzimidazol-2-yl]ethanol (CID 58049613) is 1-[1-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethyl]benzimidazol-2-yl]ethanol.
What is the SMILES notation for 1-[1-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethyl]benzimidazol-2-yl]ethanol?
The canonical SMILES for 1-[1-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethyl]benzimidazol-2-yl]ethanol is CC(O)c1nc2ccccc2n1CCOCCn1c(C(C)O)nc2ccccc21.
What is the InChIKey of 1-[1-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethyl]benzimidazol-2-yl]ethanol?
The InChIKey is LLWYTOGDBKXUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-15(27)21-23-17-7-3-5-9-19(17)25(21)11-13-29-14-12-26-20-10-6-4-8-18(20)24-22(26)16(2)28/h3-10,15-16,27-28H,11-14H2,1-2H3.
What are the key properties of 1-[1-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethyl]benzimidazol-2-yl]ethanol?
1-[1-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethyl]benzimidazol-2-yl]ethanol has a molecular weight of 394.48 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethyl]benzimidazol-2-yl]ethanol is sourced from PubChem (CID 58049613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).