4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide

C13H15N3O2 — CID 21109027

IUPAC4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide
SMILESCc1cc(C(=O)Nc2nccn2C)cc(C)c1O
InChIInChI=1S/C13H15N3O2/c1-8-6-10(7-9(2)11(8)17)12(18)15-13-14-4-5-16(13)3/h4-7,17H,1-3H3,(H,14,15,18)
InChIKeyJDQCWQIVHRSDJA-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.99
Rot. Bonds2

About 4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide

4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide (PubChem CID 21109027) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide.

Molecular Properties

Compound Name4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide
PubChem CID21109027
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide
SMILESCc1cc(C(=O)Nc2nccn2C)cc(C)c1O
InChIInChI=1S/C13H15N3O2/c1-8-6-10(7-9(2)11(8)17)12(18)15-13-14-4-5-16(13)3/h4-7,17H,1-3H3,(H,14,15,18)
InChIKeyJDQCWQIVHRSDJA-UHFFFAOYSA-N
XLogP1.99
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-ditert-butyl-4-hydroxy-N-(1H-imidazol-2-yl)benzamide;3,5-ditert-butyl-4-hydroxy-N-(1-methylimidazol-2-yl)benzamide;4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide;4-hydroxy-N-(1H-imidazol-2-yl)-3,5-dimethylbenzamide
CID 173249118
3,5-ditert-butyl-4-hydroxy-N-(1-methylimidazol-2-yl)benzamide;4-hydroxy-3,5-dimethyl-N-(1H-pyrazol-5-yl)benzamide
CID 157052971
4-hydroxy-3-methoxy-N-(1-methylimidazol-2-yl)benzamide
CID 110473389
1-methyl-N-(1-methylimidazol-2-yl)pyrazole-4-carboxamide
CID 110471391
4-hydroxy-3,5-dimethyl-N-pyrimidin-2-ylbenzamide
CID 21109041
2-methyl-N-(1-methylimidazol-2-yl)-1,3-thiazole-4-carboxamide
CID 110474080
N-(1-methylimidazol-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide
CID 110473875
3-[(dimethylamino)methyl]-N-(1-methylimidazol-2-yl)benzamide
CID 134708040
1,1-dimethyl-3-(1-methylimidazol-2-yl)urea
CID 110470347
3-bromo-N-(1-methylimidazol-2-yl)thiophene-2-carboxamide
CID 131043350
4-hydroxy-3,5-dimethyl-N-pyridazin-3-ylbenzamide
CID 21109039
N-(1-methylimidazol-2-yl)-1H-indole-2-carboxamide
CID 110474026

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide?
The IUPAC name of 4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide (CID 21109027) is 4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide.
What is the SMILES notation for 4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide?
The canonical SMILES for 4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide is Cc1cc(C(=O)Nc2nccn2C)cc(C)c1O.
What is the InChIKey of 4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide?
The InChIKey is JDQCWQIVHRSDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-6-10(7-9(2)11(8)17)12(18)15-13-14-4-5-16(13)3/h4-7,17H,1-3H3,(H,14,15,18).
What are the key properties of 4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide?
4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide has a molecular weight of 245.28 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide is sourced from PubChem (CID 21109027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).