5-methyl-2-(1-methylimidazol-4-yl)-1H-imidazole-4-carboxylic acid

C9H10N4O2 — CID 131615798

IUPAC5-methyl-2-(1-methylimidazol-4-yl)-1H-imidazole-4-carboxylic acid
SMILESCc1[nH]c(-c2cn(C)cn2)nc1C(=O)O
InChIInChI=1S/C9H10N4O2/c1-5-7(9(14)15)12-8(11-5)6-3-13(2)4-10-6/h3-4H,1-2H3,(H,11,12)(H,14,15)
InChIKeyFWEAVYQKKBOFSL-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.82
Rot. Bonds2

About 5-methyl-2-(1-methylimidazol-4-yl)-1H-imidazole-4-carboxylic acid

5-methyl-2-(1-methylimidazol-4-yl)-1H-imidazole-4-carboxylic acid (PubChem CID 131615798) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 5-methyl-2-(1-methylimidazol-4-yl)-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-(1-methylimidazol-4-yl)-1H-imidazole-4-carboxylic acid
PubChem CID131615798
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name5-methyl-2-(1-methylimidazol-4-yl)-1H-imidazole-4-carboxylic acid
SMILESCc1[nH]c(-c2cn(C)cn2)nc1C(=O)O
InChIInChI=1S/C9H10N4O2/c1-5-7(9(14)15)12-8(11-5)6-3-13(2)4-10-6/h3-4H,1-2H3,(H,11,12)(H,14,15)
InChIKeyFWEAVYQKKBOFSL-UHFFFAOYSA-N
XLogP0.82
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1h,1'h-[2,4'-Biimidazole]-4,5-dicarboxylic acid
CID 168499531
2-(5-carboxy-1H-imidazol-2-yl)-1H-imidazole-5-carboxylic acid
CID 14960662
1H-imidazole-4,5-dicarboxylic acid;2-imidazol-1-ylethanol
CID 67892300
2-[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]-1H-imidazole-4,5-dicarboxylic acid
CID 67892302
2-(pyrrolidin-1-ylmethyl)-1H-imidazole-5-carboxylic acid
CID 68744194
5-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyrazine-2-carboxylic acid
CID 69509417
1H-imidazole;3-methylimidazole-4-carboxylic acid
CID 70416851
methyl 2-(ethylcarbamoyl)-4-(1H-imidazol-2-yl)-1H-imidazole-5-carboxylate
CID 71295736
5-methyl-2-(1-methylpyrazol-4-yl)-1H-imidazole-4-carboxylic acid
CID 96410634
1-butylimidazole;1H-imidazole-5-carboxylic acid
CID 118000615
2-(1-butylimidazol-2-yl)-1H-imidazole-5-carboxylic acid
CID 118000616
5-(5-Carboxy-1-methylimidazol-2-yl)-3-methyl-2-nitroimidazole-4-carboxylic acid
CID 118671628

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-methylimidazol-4-yl)-1H-imidazole-4-carboxylic acid?
The IUPAC name of 5-methyl-2-(1-methylimidazol-4-yl)-1H-imidazole-4-carboxylic acid (CID 131615798) is 5-methyl-2-(1-methylimidazol-4-yl)-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2-(1-methylimidazol-4-yl)-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-2-(1-methylimidazol-4-yl)-1H-imidazole-4-carboxylic acid is Cc1[nH]c(-c2cn(C)cn2)nc1C(=O)O.
What is the InChIKey of 5-methyl-2-(1-methylimidazol-4-yl)-1H-imidazole-4-carboxylic acid?
The InChIKey is FWEAVYQKKBOFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-5-7(9(14)15)12-8(11-5)6-3-13(2)4-10-6/h3-4H,1-2H3,(H,11,12)(H,14,15).
What are the key properties of 5-methyl-2-(1-methylimidazol-4-yl)-1H-imidazole-4-carboxylic acid?
5-methyl-2-(1-methylimidazol-4-yl)-1H-imidazole-4-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-methylimidazol-4-yl)-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 131615798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).