3-amino-2-(4-methylphenyl)imidazole-4-carboxylic acid

C11H11N3O2 — CID 121435256

IUPAC3-amino-2-(4-methylphenyl)imidazole-4-carboxylic acid
SMILESCc1ccc(-c2ncc(C(=O)O)n2N)cc1
InChIInChI=1S/C11H11N3O2/c1-7-2-4-8(5-3-7)10-13-6-9(11(15)16)14(10)12/h2-6H,12H2,1H3,(H,15,16)
InChIKeySZUJUKCZSJVGHE-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.27
Rot. Bonds2

About 3-amino-2-(4-methylphenyl)imidazole-4-carboxylic acid

3-amino-2-(4-methylphenyl)imidazole-4-carboxylic acid (PubChem CID 121435256) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-amino-2-(4-methylphenyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-(4-methylphenyl)imidazole-4-carboxylic acid
PubChem CID121435256
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name3-amino-2-(4-methylphenyl)imidazole-4-carboxylic acid
SMILESCc1ccc(-c2ncc(C(=O)O)n2N)cc1
InChIInChI=1S/C11H11N3O2/c1-7-2-4-8(5-3-7)10-13-6-9(11(15)16)14(10)12/h2-6H,12H2,1H3,(H,15,16)
InChIKeySZUJUKCZSJVGHE-UHFFFAOYSA-N
XLogP1.27
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylphenyl)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 84737805
carbonic acid;1,4-xylene
CID 89415214
4-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid
CID 933498
1-amino-5-(4-methylphenyl)-4-sulfopyrazole-3-carboxylic acid
CID 174172053
3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylic acid
CID 117142785
1-[2-(4-chlorophenyl)-3-methylimidazol-4-yl]ethanone
CID 82375303
3-(4-methylphenyl)-1,2,4-thiadiazole-5-carboxylic acid
CID 22229304
3-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)imidazole-4-carboxylic acid
CID 155913120
5-methylpyrazine-2-carboxylic acid;1,4-xylene
CID 174881923
ethyl 2-(4-chlorophenyl)-3-methylimidazole-4-carboxylate
CID 122476726
6-methylimidazo[1,2-b]pyridazine-3-carboxylic acid
CID 116854345
4-(4-methylphenyl)pyrimidine-5-carboxylic acid
CID 58828782

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-methylphenyl)imidazole-4-carboxylic acid?
The IUPAC name of 3-amino-2-(4-methylphenyl)imidazole-4-carboxylic acid (CID 121435256) is 3-amino-2-(4-methylphenyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 3-amino-2-(4-methylphenyl)imidazole-4-carboxylic acid?
The canonical SMILES for 3-amino-2-(4-methylphenyl)imidazole-4-carboxylic acid is Cc1ccc(-c2ncc(C(=O)O)n2N)cc1.
What is the InChIKey of 3-amino-2-(4-methylphenyl)imidazole-4-carboxylic acid?
The InChIKey is SZUJUKCZSJVGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-7-2-4-8(5-3-7)10-13-6-9(11(15)16)14(10)12/h2-6H,12H2,1H3,(H,15,16).
What are the key properties of 3-amino-2-(4-methylphenyl)imidazole-4-carboxylic acid?
3-amino-2-(4-methylphenyl)imidazole-4-carboxylic acid has a molecular weight of 217.23 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-methylphenyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 121435256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).