2-(3-acetamidophenyl)-4-methylimidazole-1-carboxylic acid

C13H13N3O3 — CID 19761467

IUPAC2-(3-acetamidophenyl)-4-methylimidazole-1-carboxylic acid
SMILESCC(=O)Nc1cccc(-c2nc(C)cn2C(=O)O)c1
InChIInChI=1S/C13H13N3O3/c1-8-7-16(13(18)19)12(14-8)10-4-3-5-11(6-10)15-9(2)17/h3-7H,1-2H3,(H,15,17)(H,18,19)
InChIKeyYTQCEWGUXJJLDP-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.34
Rot. Bonds2

About 2-(3-acetamidophenyl)-4-methylimidazole-1-carboxylic acid

2-(3-acetamidophenyl)-4-methylimidazole-1-carboxylic acid (PubChem CID 19761467) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-(3-acetamidophenyl)-4-methylimidazole-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-acetamidophenyl)-4-methylimidazole-1-carboxylic acid
PubChem CID19761467
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name2-(3-acetamidophenyl)-4-methylimidazole-1-carboxylic acid
SMILESCC(=O)Nc1cccc(-c2nc(C)cn2C(=O)O)c1
InChIInChI=1S/C13H13N3O3/c1-8-7-16(13(18)19)12(14-8)10-4-3-5-11(6-10)15-9(2)17/h3-7H,1-2H3,(H,15,17)(H,18,19)
InChIKeyYTQCEWGUXJJLDP-UHFFFAOYSA-N
XLogP2.34
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-methyl-2-pyridinyl)phenyl]acetamide
CID 143373898
N-(3-methylphenyl)acetamide
CID 10843
3-[6-(3-acetamidophenyl)pyrazin-2-yl]benzoic acid
CID 126473086
N-[3-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]acetamide
CID 71003917
methyl 2-(3-acetamidophenyl)-6-methylpyridine-4-carboxylate
CID 39732995
N-[3-(3-aminophenyl)phenyl]acetamide
CID 22724502
N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 34855811
N-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 53013476
5-(3-acetamidophenyl)pyridine-2-carboxylic acid
CID 50998543
(3-phenylphenyl)carbamic acid
CID 611602
N-[3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]acetamide
CID 50984671
N-[3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 21358511

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidophenyl)-4-methylimidazole-1-carboxylic acid?
The IUPAC name of 2-(3-acetamidophenyl)-4-methylimidazole-1-carboxylic acid (CID 19761467) is 2-(3-acetamidophenyl)-4-methylimidazole-1-carboxylic acid.
What is the SMILES notation for 2-(3-acetamidophenyl)-4-methylimidazole-1-carboxylic acid?
The canonical SMILES for 2-(3-acetamidophenyl)-4-methylimidazole-1-carboxylic acid is CC(=O)Nc1cccc(-c2nc(C)cn2C(=O)O)c1.
What is the InChIKey of 2-(3-acetamidophenyl)-4-methylimidazole-1-carboxylic acid?
The InChIKey is YTQCEWGUXJJLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-8-7-16(13(18)19)12(14-8)10-4-3-5-11(6-10)15-9(2)17/h3-7H,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-(3-acetamidophenyl)-4-methylimidazole-1-carboxylic acid?
2-(3-acetamidophenyl)-4-methylimidazole-1-carboxylic acid has a molecular weight of 259.27 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidophenyl)-4-methylimidazole-1-carboxylic acid is sourced from PubChem (CID 19761467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).