2-[5-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]benzimidazol-1-yl]ethanol

C22H20N6O — CID 138808259

IUPAC2-[5-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]benzimidazol-1-yl]ethanol
SMILESOCCn1cnc2cc(-n3ccnc3-c3ccccc3Cn3cccn3)ccc21
InChIInChI=1S/C22H20N6O/c29-13-12-26-16-24-20-14-18(6-7-21(20)26)28-11-9-23-22(28)19-5-2-1-4-17(19)15-27-10-3-8-25-27/h1-11,14,16,29H,12-13,15H2
InChIKeyVNGCHKDCSQIUOY-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.13
Rot. Bonds6

About 2-[5-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]benzimidazol-1-yl]ethanol

2-[5-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]benzimidazol-1-yl]ethanol (PubChem CID 138808259) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-[5-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]benzimidazol-1-yl]ethanol
PubChem CID138808259
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name2-[5-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]benzimidazol-1-yl]ethanol
SMILESOCCn1cnc2cc(-n3ccnc3-c3ccccc3Cn3cccn3)ccc21
InChIInChI=1S/C22H20N6O/c29-13-12-26-16-24-20-14-18(6-7-21(20)26)28-11-9-23-22(28)19-5-2-1-4-17(19)15-27-10-3-8-25-27/h1-11,14,16,29H,12-13,15H2
InChIKeyVNGCHKDCSQIUOY-UHFFFAOYSA-N
XLogP3.13
TPSA73.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.13
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
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2-(5-tert-butylbenzimidazol-1-yl)ethanol
CID 176701659
2-[5-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-4-phenylimidazol-1-yl]ethanol
CID 50977500
2-[5-[5-methyl-2-(3-methylphenyl)-1,2,4-triazol-3-yl]benzimidazol-1-yl]ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[5-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]benzimidazol-1-yl]ethanol (CID 138808259) is 2-[5-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]benzimidazol-1-yl]ethanol is OCCn1cnc2cc(-n3ccnc3-c3ccccc3Cn3cccn3)ccc21.
What is the InChIKey of 2-[5-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]benzimidazol-1-yl]ethanol?
The InChIKey is VNGCHKDCSQIUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c29-13-12-26-16-24-20-14-18(6-7-21(20)26)28-11-9-23-22(28)19-5-2-1-4-17(19)15-27-10-3-8-25-27/h1-11,14,16,29H,12-13,15H2.
What are the key properties of 2-[5-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]benzimidazol-1-yl]ethanol?
2-[5-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]benzimidazol-1-yl]ethanol has a molecular weight of 384.44 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]benzimidazol-1-yl]ethanol is sourced from PubChem (CID 138808259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).