2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)benzimidazol-1-yl]ethanol

C17H16N2O3 — CID 50959699

IUPAC2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)benzimidazol-1-yl]ethanol
SMILESOCCn1c(-c2ccc3c(c2)OCCO3)nc2ccccc21
InChIInChI=1S/C17H16N2O3/c20-8-7-19-14-4-2-1-3-13(14)18-17(19)12-5-6-15-16(11-12)22-10-9-21-15/h1-6,11,20H,7-10H2
InChIKeyWZZNSKMTAGBSMD-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.47
Rot. Bonds3

About 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)benzimidazol-1-yl]ethanol

2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)benzimidazol-1-yl]ethanol (PubChem CID 50959699) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)benzimidazol-1-yl]ethanol
PubChem CID50959699
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)benzimidazol-1-yl]ethanol
SMILESOCCn1c(-c2ccc3c(c2)OCCO3)nc2ccccc21
InChIInChI=1S/C17H16N2O3/c20-8-7-19-14-4-2-1-3-13(14)18-17(19)12-5-6-15-16(11-12)22-10-9-21-15/h1-6,11,20H,7-10H2
InChIKeyWZZNSKMTAGBSMD-UHFFFAOYSA-N
XLogP2.47
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Etodesnitazene
CID 149797386
Metodesnitazene
CID 26412
1-(4-methoxybenzyl)-2-(4-methoxyphenyl)-1H-benzo(d)imidazole
CID 746182
1-Ethyl-2-(2-methoxy-phenoxymethyl)-1H-benzoimidazole
CID 687911
Imoxiterol
CID 65665
2-[(3,4-dimethoxyphenyl)methyl]-1H-1,3-benzodiazole
CID 393989
1-Benzyl-2-(4-{[(2r)-2-(2-Phenyl-1h-Benzimidazol-1-Yl)pent-4-En-1-Yl]oxy}phenyl)-1h-Benzimidazole
CID 73292574
1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]benzimidazole
CID 138621385
(2,5-Dimethoxyphenyl)(1-methyl-1H-benzimidazol-2-yl)methanol
CID 622468
2-[(2-methoxyphenoxy)methyl]-1-(prop-2-en-1-yl)-1H-1,3-benzodiazole
CID 706275
[1-(2-phenoxyethyl)-1H-benzimidazol-2-yl]methanol
CID 741502
[1-[(2-Methoxyphenyl)methyl]benzimidazol-2-yl]methanol
CID 755585

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)benzimidazol-1-yl]ethanol (CID 50959699) is 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)benzimidazol-1-yl]ethanol is OCCn1c(-c2ccc3c(c2)OCCO3)nc2ccccc21.
What is the InChIKey of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)benzimidazol-1-yl]ethanol?
The InChIKey is WZZNSKMTAGBSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c20-8-7-19-14-4-2-1-3-13(14)18-17(19)12-5-6-15-16(11-12)22-10-9-21-15/h1-6,11,20H,7-10H2.
What are the key properties of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)benzimidazol-1-yl]ethanol?
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)benzimidazol-1-yl]ethanol has a molecular weight of 296.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)benzimidazol-1-yl]ethanol is sourced from PubChem (CID 50959699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).