5-hydroxy-2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]benzamide

C14H17N3O2 — CID 154735511

IUPAC5-hydroxy-2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]benzamide
SMILESCc1ccc(O)cc1C(=O)NCCc1cncn1C
InChIInChI=1S/C14H17N3O2/c1-10-3-4-12(18)7-13(10)14(19)16-6-5-11-8-15-9-17(11)2/h3-4,7-9,18H,5-6H2,1-2H3,(H,16,19)
InChIKeyXINBFHHMZCSEIQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.41
Rot. Bonds4

About 5-hydroxy-2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]benzamide

5-hydroxy-2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]benzamide (PubChem CID 154735511) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-hydroxy-2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-hydroxy-2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]benzamide
PubChem CID154735511
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-hydroxy-2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]benzamide
SMILESCc1ccc(O)cc1C(=O)NCCc1cncn1C
InChIInChI=1S/C14H17N3O2/c1-10-3-4-12(18)7-13(10)14(19)16-6-5-11-8-15-9-17(11)2/h3-4,7-9,18H,5-6H2,1-2H3,(H,16,19)
InChIKeyXINBFHHMZCSEIQ-UHFFFAOYSA-N
XLogP1.41
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]quinoline-6-carboxamide
CID 86798644
2-(3-methylimidazol-4-yl)ethylurea
CID 141391466
2,5-dihydroxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 107723981
N-[2-(3-methylimidazol-4-yl)ethyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 75455855
5-hydroxy-2-methyl-N-prop-2-ynylbenzamide
CID 130595323
2-amino-5-hydroxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106103789
N-[2-(3-methylimidazol-4-yl)ethyl]-3-(4-methylphenyl)adamantane-1-carboxamide
CID 166222098
4,4-difluoro-N-[2-(3-methylimidazol-4-yl)ethyl]cyclohexane-1-carboxamide
CID 86798626
6-[2-(3-methylimidazol-4-yl)ethylamino]pyridine-3-carboxylic acid
CID 167958178
N-(4-acetyl-3-methylphenyl)-3-(3-methylimidazol-4-yl)propanamide
CID 154756186
1-[2-(3-methylimidazol-4-yl)ethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 75455856
2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-sulfanylbenzamide
CID 107032871

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]benzamide?
The IUPAC name of 5-hydroxy-2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]benzamide (CID 154735511) is 5-hydroxy-2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 5-hydroxy-2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]benzamide?
The canonical SMILES for 5-hydroxy-2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]benzamide is Cc1ccc(O)cc1C(=O)NCCc1cncn1C.
What is the InChIKey of 5-hydroxy-2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]benzamide?
The InChIKey is XINBFHHMZCSEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-3-4-12(18)7-13(10)14(19)16-6-5-11-8-15-9-17(11)2/h3-4,7-9,18H,5-6H2,1-2H3,(H,16,19).
What are the key properties of 5-hydroxy-2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]benzamide?
5-hydroxy-2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]benzamide has a molecular weight of 259.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 154735511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).