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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Related Compounds

2-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid
CID 162530956
5-[6-(azetidin-1-yl)-1H-benzimidazol-2-yl]-2-hydroxy-3-methoxybenzoic acid
CID 162531087
5-(1H-benzimidazol-2-yl)-2-hydroxybenzoic acid
CID 136510486
2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid
CID 162530946
4-[6-(6-piperazin-1-yl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenol;trihydrochloride
CID 159203040
4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline
CID 163663064
9-methyl-3,6-bis[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]carbazole
CID 102218320
6-methyl-2-(3-pyrrolidin-1-ylphenyl)-1H-benzimidazole
CID 168514664
2-(2-phenyl-3H-benzimidazol-5-yl)-5-piperidin-1-yl-3H-isoindol-1-one
CID 150271207
4-[6-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol
CID 136504253
N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide
CID 67686989
1-[4-[4-(6-bromo-1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone
CID 103597100

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).