2-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid

C18H17N3O4 — CID 162530956

IUPAC2-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid
SMILESO=C(O)c1cc(-c2nc3ccc(N4CCOCC4)cc3[nH]2)ccc1O
InChIInChI=1S/C18H17N3O4/c22-16-4-1-11(9-13(16)18(23)24)17-19-14-3-2-12(10-15(14)20-17)21-5-7-25-8-6-21/h1-4,9-10,22H,5-8H2,(H,19,20)(H,23,24)
InChIKeyANMOXOKSBCRZNV-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.47
Rot. Bonds3

About 2-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid

2-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid (PubChem CID 162530956) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid
PubChem CID162530956
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name2-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid
SMILESO=C(O)c1cc(-c2nc3ccc(N4CCOCC4)cc3[nH]2)ccc1O
InChIInChI=1S/C18H17N3O4/c22-16-4-1-11(9-13(16)18(23)24)17-19-14-3-2-12(10-15(14)20-17)21-5-7-25-8-6-21/h1-4,9-10,22H,5-8H2,(H,19,20)(H,23,24)
InChIKeyANMOXOKSBCRZNV-UHFFFAOYSA-N
XLogP2.47
TPSA98.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[6-(azetidin-1-yl)-1H-benzimidazol-2-yl]-2-hydroxybenzoic acid
CID 162531033
2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid
CID 162530946
5-(1H-benzimidazol-2-yl)-2-hydroxybenzoic acid
CID 136510486
2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-amine
CID 17325486
4-[4-[5-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]-1,3,4-oxadiazol-2-yl]phenyl]morpholine
CID 67114161
N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide
CID 67686989
N,2-bis(4-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide
CID 67687499
5-[6-(azetidin-1-yl)-1H-benzimidazol-2-yl]-2-hydroxy-3-methoxybenzoic acid
CID 162531087
2-(1H-benzimidazol-2-yl)-5-morpholin-4-ylphenol
CID 168554407
4-[6-(6-piperazin-1-yl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenol;trihydrochloride
CID 159203040
4-[2-[4-(2,2-dimethylpropoxy)phenyl]-3H-benzimidazol-5-yl]morpholine
CID 143859047
2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 140538831

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid?
The IUPAC name of 2-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid (CID 162530956) is 2-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid.
What is the SMILES notation for 2-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid?
The canonical SMILES for 2-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid is O=C(O)c1cc(-c2nc3ccc(N4CCOCC4)cc3[nH]2)ccc1O.
What is the InChIKey of 2-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid?
The InChIKey is ANMOXOKSBCRZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c22-16-4-1-11(9-13(16)18(23)24)17-19-14-3-2-12(10-15(14)20-17)21-5-7-25-8-6-21/h1-4,9-10,22H,5-8H2,(H,19,20)(H,23,24).
What are the key properties of 2-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid?
2-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid has a molecular weight of 339.35 g/mol, XLogP of 2.47, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid is sourced from PubChem (CID 162530956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).