2-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-3-hydroxybenzimidazole-5-carboxylic acid

C23H20N4O4 — CID 11683111

IUPAC2-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-3-hydroxybenzimidazole-5-carboxylic acid
SMILESCN(C)c1ccc(C(=O)Nc2ccc(-c3nc4ccc(C(=O)O)cc4n3O)cc2)cc1
InChIInChI=1S/C23H20N4O4/c1-26(2)18-10-5-15(6-11-18)22(28)24-17-8-3-14(4-9-17)21-25-19-12-7-16(23(29)30)13-20(19)27(21)31/h3-13,31H,1-2H3,(H,24,28)(H,29,30)
InChIKeyISBMQCKRURJPJW-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.96
Rot. Bonds5

About 2-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-3-hydroxybenzimidazole-5-carboxylic acid

2-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-3-hydroxybenzimidazole-5-carboxylic acid (PubChem CID 11683111) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is 2-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-3-hydroxybenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-3-hydroxybenzimidazole-5-carboxylic acid
PubChem CID11683111
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name2-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-3-hydroxybenzimidazole-5-carboxylic acid
SMILESCN(C)c1ccc(C(=O)Nc2ccc(-c3nc4ccc(C(=O)O)cc4n3O)cc2)cc1
InChIInChI=1S/C23H20N4O4/c1-26(2)18-10-5-15(6-11-18)22(28)24-17-8-3-14(4-9-17)21-25-19-12-7-16(23(29)30)13-20(19)27(21)31/h3-13,31H,1-2H3,(H,24,28)(H,29,30)
InChIKeyISBMQCKRURJPJW-UHFFFAOYSA-N
XLogP3.96
TPSA107.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylamino)-N-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]benzamide
CID 11668165
N-[4-(1-hydroxy-6-methylbenzimidazol-2-yl)phenyl]-4-methylbenzamide
CID 91378305
N-[4-(1-hydroxy-6-imidazol-1-ylbenzimidazol-2-yl)phenyl]benzamide
CID 68796040
3-hydroxy-2-phenylbenzimidazole-5-carboxylic acid
CID 10083635
4-cyano-N-[4-(6-cyano-1-hydroxybenzimidazol-2-yl)phenyl]benzamide
CID 25061865
4-hydroxy-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide
CID 11718063
2-[4-[3-(4-fluorophenyl)prop-2-enoylamino]phenyl]-3-hydroxybenzimidazole-5-carboxylic acid
CID 67068824
4-cyano-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide
CID 11632703
N-[4-(dimethylamino)phenyl]-2-[4-[[4-(dimethylamino)phenyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686135
N-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-2-[4-(dimethylamino)phenyl]-3H-benzimidazole-5-carboxamide
CID 67112793
1-(3-hydroxy-2-phenylbenzimidazol-5-yl)ethanone
CID 10444910
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-3-hydroxybenzimidazole-5-carboxylic acid?
The IUPAC name of 2-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-3-hydroxybenzimidazole-5-carboxylic acid (CID 11683111) is 2-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-3-hydroxybenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-3-hydroxybenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-3-hydroxybenzimidazole-5-carboxylic acid is CN(C)c1ccc(C(=O)Nc2ccc(-c3nc4ccc(C(=O)O)cc4n3O)cc2)cc1.
What is the InChIKey of 2-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-3-hydroxybenzimidazole-5-carboxylic acid?
The InChIKey is ISBMQCKRURJPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-26(2)18-10-5-15(6-11-18)22(28)24-17-8-3-14(4-9-17)21-25-19-12-7-16(23(29)30)13-20(19)27(21)31/h3-13,31H,1-2H3,(H,24,28)(H,29,30).
What are the key properties of 2-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-3-hydroxybenzimidazole-5-carboxylic acid?
2-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-3-hydroxybenzimidazole-5-carboxylic acid has a molecular weight of 416.44 g/mol, XLogP of 3.96, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-3-hydroxybenzimidazole-5-carboxylic acid is sourced from PubChem (CID 11683111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).