2-(benzimidazol-1-yl)-2-[2-(2H-tetrazol-5-yl)phenyl]hexanoic acid

C20H20N6O2 — CID 67729503

IUPAC2-(benzimidazol-1-yl)-2-[2-(2H-tetrazol-5-yl)phenyl]hexanoic acid
SMILESCCCCC(C(=O)O)(c1ccccc1-c1nn[nH]n1)n1cnc2ccccc21
InChIInChI=1S/C20H20N6O2/c1-2-3-12-20(19(27)28,26-13-21-16-10-6-7-11-17(16)26)15-9-5-4-8-14(15)18-22-24-25-23-18/h4-11,13H,2-3,12H2,1H3,(H,27,28)(H,22,23,24,25)
InChIKeyNHTIWUYHPKWBRD-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.23
Rot. Bonds7

About 2-(benzimidazol-1-yl)-2-[2-(2H-tetrazol-5-yl)phenyl]hexanoic acid

2-(benzimidazol-1-yl)-2-[2-(2H-tetrazol-5-yl)phenyl]hexanoic acid (PubChem CID 67729503) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-2-[2-(2H-tetrazol-5-yl)phenyl]hexanoic acid.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-2-[2-(2H-tetrazol-5-yl)phenyl]hexanoic acid
PubChem CID67729503
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name2-(benzimidazol-1-yl)-2-[2-(2H-tetrazol-5-yl)phenyl]hexanoic acid
SMILESCCCCC(C(=O)O)(c1ccccc1-c1nn[nH]n1)n1cnc2ccccc21
InChIInChI=1S/C20H20N6O2/c1-2-3-12-20(19(27)28,26-13-21-16-10-6-7-11-17(16)26)15-9-5-4-8-14(15)18-22-24-25-23-18/h4-11,13H,2-3,12H2,1H3,(H,27,28)(H,22,23,24,25)
InChIKeyNHTIWUYHPKWBRD-UHFFFAOYSA-N
XLogP3.23
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-2-[2-(2H-tetrazol-5-yl)phenyl]hexanoic acid?
The IUPAC name of 2-(benzimidazol-1-yl)-2-[2-(2H-tetrazol-5-yl)phenyl]hexanoic acid (CID 67729503) is 2-(benzimidazol-1-yl)-2-[2-(2H-tetrazol-5-yl)phenyl]hexanoic acid.
What is the SMILES notation for 2-(benzimidazol-1-yl)-2-[2-(2H-tetrazol-5-yl)phenyl]hexanoic acid?
The canonical SMILES for 2-(benzimidazol-1-yl)-2-[2-(2H-tetrazol-5-yl)phenyl]hexanoic acid is CCCCC(C(=O)O)(c1ccccc1-c1nn[nH]n1)n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-2-[2-(2H-tetrazol-5-yl)phenyl]hexanoic acid?
The InChIKey is NHTIWUYHPKWBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-2-3-12-20(19(27)28,26-13-21-16-10-6-7-11-17(16)26)15-9-5-4-8-14(15)18-22-24-25-23-18/h4-11,13H,2-3,12H2,1H3,(H,27,28)(H,22,23,24,25).
What are the key properties of 2-(benzimidazol-1-yl)-2-[2-(2H-tetrazol-5-yl)phenyl]hexanoic acid?
2-(benzimidazol-1-yl)-2-[2-(2H-tetrazol-5-yl)phenyl]hexanoic acid has a molecular weight of 376.42 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-2-[2-(2H-tetrazol-5-yl)phenyl]hexanoic acid is sourced from PubChem (CID 67729503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).