4-benzamido-1-methylimidazole-2-carboxylic acid

C12H11N3O3 — CID 121013976

IUPAC4-benzamido-1-methylimidazole-2-carboxylic acid
SMILESCn1cc(NC(=O)c2ccccc2)nc1C(=O)O
InChIInChI=1S/C12H11N3O3/c1-15-7-9(13-10(15)12(17)18)14-11(16)8-5-3-2-4-6-8/h2-7H,1H3,(H,14,16)(H,17,18)
InChIKeyUDUJLALPJBMKHX-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.37
Rot. Bonds3

About 4-benzamido-1-methylimidazole-2-carboxylic acid

4-benzamido-1-methylimidazole-2-carboxylic acid (PubChem CID 121013976) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 4-benzamido-1-methylimidazole-2-carboxylic acid.

Molecular Properties

Compound Name4-benzamido-1-methylimidazole-2-carboxylic acid
PubChem CID121013976
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name4-benzamido-1-methylimidazole-2-carboxylic acid
SMILESCn1cc(NC(=O)c2ccccc2)nc1C(=O)O
InChIInChI=1S/C12H11N3O3/c1-15-7-9(13-10(15)12(17)18)14-11(16)8-5-3-2-4-6-8/h2-7H,1H3,(H,14,16)(H,17,18)
InChIKeyUDUJLALPJBMKHX-UHFFFAOYSA-N
XLogP1.37
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzamido-N-[5-[[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide
CID 57398250
N-(3-methylimidazo[4,5-b]pyridin-5-yl)benzamide
CID 23298391
N-[6-(diethylamino)-2-methylpyrimidin-4-yl]benzamide
CID 65389183
N-(2-oxo-1-trimethylsilylpyrimidin-4-yl)benzamide
CID 131851594
N-[6-(dimethylamino)-2-methylpyrimidin-4-yl]benzamide
CID 65389150
N-(6-bromo-2-pyridinyl)benzamide
CID 43520453
N-(5-amino-6-methyl-2-pyridinyl)benzamide
CID 82330924
6-benzamidopyridine-2-carboxamide
CID 69135492
N-(6-phenyl-2-pyridinyl)benzamide
CID 24949410
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
4-N-[2-[[2-[[2-(2-cyanoethylcarbamoyl)-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-1-N-[5-[[5-[[5-(2-cyanoethylcarbamoyl)-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]benzene-1,4-dicarboxamide
CID 15460566
N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
CID 113045593

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-1-methylimidazole-2-carboxylic acid?
The IUPAC name of 4-benzamido-1-methylimidazole-2-carboxylic acid (CID 121013976) is 4-benzamido-1-methylimidazole-2-carboxylic acid.
What is the SMILES notation for 4-benzamido-1-methylimidazole-2-carboxylic acid?
The canonical SMILES for 4-benzamido-1-methylimidazole-2-carboxylic acid is Cn1cc(NC(=O)c2ccccc2)nc1C(=O)O.
What is the InChIKey of 4-benzamido-1-methylimidazole-2-carboxylic acid?
The InChIKey is UDUJLALPJBMKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-15-7-9(13-10(15)12(17)18)14-11(16)8-5-3-2-4-6-8/h2-7H,1H3,(H,14,16)(H,17,18).
What are the key properties of 4-benzamido-1-methylimidazole-2-carboxylic acid?
4-benzamido-1-methylimidazole-2-carboxylic acid has a molecular weight of 245.24 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-1-methylimidazole-2-carboxylic acid is sourced from PubChem (CID 121013976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).