2-[5-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol

C19H16N4O3 — CID 70708364

IUPAC2-[5-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol
SMILESOCCn1cnc2cc(-n3ccnc3-c3ccc4c(c3)OCO4)ccc21
InChIInChI=1S/C19H16N4O3/c24-8-7-22-11-21-15-10-14(2-3-16(15)22)23-6-5-20-19(23)13-1-4-17-18(9-13)26-12-25-17/h1-6,9-11,24H,7-8,12H2
InChIKeyLDXZTNOQRQNFFE-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.61
Rot. Bonds4

About 2-[5-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol

2-[5-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol (PubChem CID 70708364) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-[5-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol
PubChem CID70708364
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name2-[5-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol
SMILESOCCn1cnc2cc(-n3ccnc3-c3ccc4c(c3)OCO4)ccc21
InChIInChI=1S/C19H16N4O3/c24-8-7-22-11-21-15-10-14(2-3-16(15)22)23-6-5-20-19(23)13-1-4-17-18(9-13)26-12-25-17/h1-6,9-11,24H,7-8,12H2
InChIKeyLDXZTNOQRQNFFE-UHFFFAOYSA-N
XLogP2.61
TPSA74.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-[2-(3-ethylimidazol-4-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol
CID 138386691
2-[5-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]benzimidazol-1-yl]ethanol
CID 138808259
2-[1-(1,3-benzodioxol-5-yl)imidazol-2-yl]sulfanylacetamide
CID 94700017
1-(1,3-benzodioxol-5-yl)-2-methylsulfonylimidazole
CID 82133808
3-[2-(1,3-benzodioxol-5-yl)benzimidazol-1-yl]propan-1-ol
CID 82149522
6-[2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]quinoxaline
CID 95559962
2-[4-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpyrazol-1-yl]ethanol
CID 11638140
2-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]-3-phenylpropanoic acid
CID 56870852
3-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]-N-(2-ethylphenyl)propanamide
CID 70749578
2-(1,3-benzodioxol-5-yl)-1-(2,3-dihydro-1-benzofuran-3-yl)imidazole
CID 155501108
1-(1,3-benzodioxol-5-yl)-3-(3-methylbutylamino)pyrazin-2-one
CID 20941705
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]ethyl]benzimidazole-5-carbonitrile
CID 57176462

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[5-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol (CID 70708364) is 2-[5-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol is OCCn1cnc2cc(-n3ccnc3-c3ccc4c(c3)OCO4)ccc21.
What is the InChIKey of 2-[5-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol?
The InChIKey is LDXZTNOQRQNFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c24-8-7-22-11-21-15-10-14(2-3-16(15)22)23-6-5-20-19(23)13-1-4-17-18(9-13)26-12-25-17/h1-6,9-11,24H,7-8,12H2.
What are the key properties of 2-[5-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol?
2-[5-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol has a molecular weight of 348.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol is sourced from PubChem (CID 70708364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).