5-[6-(azetidin-1-yl)-1H-benzimidazol-2-yl]-2-hydroxybenzoic acid

C17H15N3O3 — CID 162531033

IUPAC5-[6-(azetidin-1-yl)-1H-benzimidazol-2-yl]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(-c2nc3ccc(N4CCC4)cc3[nH]2)ccc1O
InChIInChI=1S/C17H15N3O3/c21-15-5-2-10(8-12(15)17(22)23)16-18-13-4-3-11(9-14(13)19-16)20-6-1-7-20/h2-5,8-9,21H,1,6-7H2,(H,18,19)(H,22,23)
InChIKeyOLIHRYUEAQZXPB-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.84
Rot. Bonds3

About 5-[6-(azetidin-1-yl)-1H-benzimidazol-2-yl]-2-hydroxybenzoic acid

5-[6-(azetidin-1-yl)-1H-benzimidazol-2-yl]-2-hydroxybenzoic acid (PubChem CID 162531033) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 5-[6-(azetidin-1-yl)-1H-benzimidazol-2-yl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[6-(azetidin-1-yl)-1H-benzimidazol-2-yl]-2-hydroxybenzoic acid
PubChem CID162531033
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name5-[6-(azetidin-1-yl)-1H-benzimidazol-2-yl]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(-c2nc3ccc(N4CCC4)cc3[nH]2)ccc1O
InChIInChI=1S/C17H15N3O3/c21-15-5-2-10(8-12(15)17(22)23)16-18-13-4-3-11(9-14(13)19-16)20-6-1-7-20/h2-5,8-9,21H,1,6-7H2,(H,18,19)(H,22,23)
InChIKeyOLIHRYUEAQZXPB-UHFFFAOYSA-N
XLogP2.84
TPSA89.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(azetidin-1-yl)-1H-benzimidazol-2-yl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[6-(azetidin-1-yl)-1H-benzimidazol-2-yl]-2-hydroxybenzoic acid (CID 162531033) is 5-[6-(azetidin-1-yl)-1H-benzimidazol-2-yl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[6-(azetidin-1-yl)-1H-benzimidazol-2-yl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[6-(azetidin-1-yl)-1H-benzimidazol-2-yl]-2-hydroxybenzoic acid is O=C(O)c1cc(-c2nc3ccc(N4CCC4)cc3[nH]2)ccc1O.
What is the InChIKey of 5-[6-(azetidin-1-yl)-1H-benzimidazol-2-yl]-2-hydroxybenzoic acid?
The InChIKey is OLIHRYUEAQZXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c21-15-5-2-10(8-12(15)17(22)23)16-18-13-4-3-11(9-14(13)19-16)20-6-1-7-20/h2-5,8-9,21H,1,6-7H2,(H,18,19)(H,22,23).
What are the key properties of 5-[6-(azetidin-1-yl)-1H-benzimidazol-2-yl]-2-hydroxybenzoic acid?
5-[6-(azetidin-1-yl)-1H-benzimidazol-2-yl]-2-hydroxybenzoic acid has a molecular weight of 309.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(azetidin-1-yl)-1H-benzimidazol-2-yl]-2-hydroxybenzoic acid is sourced from PubChem (CID 162531033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).