2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid

C19H19N3O5 — CID 162530946

IUPAC2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid
SMILESCOc1cc(-c2nc3ccc(N4CCOCC4)cc3[nH]2)cc(C(=O)O)c1O
InChIInChI=1S/C19H19N3O5/c1-26-16-9-11(8-13(17(16)23)19(24)25)18-20-14-3-2-12(10-15(14)21-18)22-4-6-27-7-5-22/h2-3,8-10,23H,4-7H2,1H3,(H,20,21)(H,24,25)
InChIKeyMALXMRFORZYWOV-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.48
Rot. Bonds4

About 2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid

2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid (PubChem CID 162530946) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid
PubChem CID162530946
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid
SMILESCOc1cc(-c2nc3ccc(N4CCOCC4)cc3[nH]2)cc(C(=O)O)c1O
InChIInChI=1S/C19H19N3O5/c1-26-16-9-11(8-13(17(16)23)19(24)25)18-20-14-3-2-12(10-15(14)21-18)22-4-6-27-7-5-22/h2-3,8-10,23H,4-7H2,1H3,(H,20,21)(H,24,25)
InChIKeyMALXMRFORZYWOV-UHFFFAOYSA-N
XLogP2.48
TPSA107.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[6-(azetidin-1-yl)-1H-benzimidazol-2-yl]-2-hydroxy-3-methoxybenzoic acid
CID 162531087
2-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid
CID 162530956
3-methoxy-5-[6-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazol-2-yl]benzene-1,2-diol
CID 162530804
5-[6-(azetidin-1-yl)-1H-benzimidazol-2-yl]-2-hydroxybenzoic acid
CID 162531033
4-methoxy-6-morpholin-4-ylquinoline-2-carboxylic acid
CID 102942059
4-[2-[4-(2,2-dimethylpropoxy)phenyl]-3H-benzimidazol-5-yl]morpholine
CID 143859047
2-(3,4-dimethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole;trihydrochloride
CID 131704506
2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-amine
CID 17325486
N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide
CID 67686989
4-[4-[5-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]-1,3,4-oxadiazol-2-yl]phenyl]morpholine
CID 67114161
N,2-bis(4-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide
CID 67687499
1-[4-(3,4-dimethoxyphenyl)-2-methyl-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]ethanone
CID 154688950

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid?
The IUPAC name of 2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid (CID 162530946) is 2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid.
What is the SMILES notation for 2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid?
The canonical SMILES for 2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid is COc1cc(-c2nc3ccc(N4CCOCC4)cc3[nH]2)cc(C(=O)O)c1O.
What is the InChIKey of 2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid?
The InChIKey is MALXMRFORZYWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-26-16-9-11(8-13(17(16)23)19(24)25)18-20-14-3-2-12(10-15(14)21-18)22-4-6-27-7-5-22/h2-3,8-10,23H,4-7H2,1H3,(H,20,21)(H,24,25).
What are the key properties of 2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid?
2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid has a molecular weight of 369.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid is sourced from PubChem (CID 162530946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).