4-hydroxy-3-methoxy-N-(1-methylimidazol-2-yl)benzamide

C12H13N3O3 — CID 110473389

IUPAC4-hydroxy-3-methoxy-N-(1-methylimidazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nccn2C)ccc1O
InChIInChI=1S/C12H13N3O3/c1-15-6-5-13-12(15)14-11(17)8-3-4-9(16)10(7-8)18-2/h3-7,16H,1-2H3,(H,13,14,17)
InChIKeyWPKBEPNXOLRAOU-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.39
Rot. Bonds3

About 4-hydroxy-3-methoxy-N-(1-methylimidazol-2-yl)benzamide

4-hydroxy-3-methoxy-N-(1-methylimidazol-2-yl)benzamide (PubChem CID 110473389) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 4-hydroxy-3-methoxy-N-(1-methylimidazol-2-yl)benzamide.

Molecular Properties

Compound Name4-hydroxy-3-methoxy-N-(1-methylimidazol-2-yl)benzamide
PubChem CID110473389
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name4-hydroxy-3-methoxy-N-(1-methylimidazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nccn2C)ccc1O
InChIInChI=1S/C12H13N3O3/c1-15-6-5-13-12(15)14-11(17)8-3-4-9(16)10(7-8)18-2/h3-7,16H,1-2H3,(H,13,14,17)
InChIKeyWPKBEPNXOLRAOU-UHFFFAOYSA-N
XLogP1.39
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide
CID 21109027
N-(1-methylimidazol-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide
CID 110473875
3-hydroxy-4-methoxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 80716625
N-(4-bromophenyl)-4-hydroxy-3-methoxybenzamide
CID 29261071
(4-hydroxy-3-methoxybenzoyl)carbamic acid
CID 140993168
4-hydroxy-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 110463703
3-[(dimethylamino)methyl]-N-(1-methylimidazol-2-yl)benzamide
CID 134708040
1,3-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-dione
CID 143339753
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-N-(1-methylimidazol-2-yl)-2-oxopyridine-3-carboxamide
CID 172656387
4-hydroxy-3-methoxybenzoic acid;hydrate
CID 118665847
3-[(3-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid
CID 79737285
3-[(4-hydroxy-3-methoxybenzoyl)amino]propanoic acid
CID 68549525

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methoxy-N-(1-methylimidazol-2-yl)benzamide?
The IUPAC name of 4-hydroxy-3-methoxy-N-(1-methylimidazol-2-yl)benzamide (CID 110473389) is 4-hydroxy-3-methoxy-N-(1-methylimidazol-2-yl)benzamide.
What is the SMILES notation for 4-hydroxy-3-methoxy-N-(1-methylimidazol-2-yl)benzamide?
The canonical SMILES for 4-hydroxy-3-methoxy-N-(1-methylimidazol-2-yl)benzamide is COc1cc(C(=O)Nc2nccn2C)ccc1O.
What is the InChIKey of 4-hydroxy-3-methoxy-N-(1-methylimidazol-2-yl)benzamide?
The InChIKey is WPKBEPNXOLRAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-15-6-5-13-12(15)14-11(17)8-3-4-9(16)10(7-8)18-2/h3-7,16H,1-2H3,(H,13,14,17).
What are the key properties of 4-hydroxy-3-methoxy-N-(1-methylimidazol-2-yl)benzamide?
4-hydroxy-3-methoxy-N-(1-methylimidazol-2-yl)benzamide has a molecular weight of 247.25 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methoxy-N-(1-methylimidazol-2-yl)benzamide is sourced from PubChem (CID 110473389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).