2-methyl-1H-imidazole;oxalic acid

C6H8N2O4 — CID 71442090

IUPAC2-methyl-1H-imidazole;oxalic acid
SMILESCc1ncc[nH]1.O=C(O)C(=O)O
InChIInChI=1S/C4H6N2.C2H2O4/c1-4-5-2-3-6-4;3-1(4)2(5)6/h2-3H,1H3,(H,5,6);(H,3,4)(H,5,6)
InChIKeyLODFEEOBTARACT-UHFFFAOYSA-N
MW172.14 g/mol
LogP-0.13
Rot. Bonds

About 2-methyl-1H-imidazole;oxalic acid

2-methyl-1H-imidazole;oxalic acid (PubChem CID 71442090) has the molecular formula C6H8N2O4 and a molecular weight of 172.14 g/mol. Its IUPAC name is 2-methyl-1H-imidazole;oxalic acid.

Molecular Properties

Compound Name2-methyl-1H-imidazole;oxalic acid
PubChem CID71442090
Molecular FormulaC6H8N2O4
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC Name2-methyl-1H-imidazole;oxalic acid
SMILESCc1ncc[nH]1.O=C(O)C(=O)O
InChIInChI=1S/C4H6N2.C2H2O4/c1-4-5-2-3-6-4;3-1(4)2(5)6/h2-3H,1H3,(H,5,6);(H,3,4)(H,5,6)
InChIKeyLODFEEOBTARACT-UHFFFAOYSA-N
XLogP-0.13
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-methyl-1H-imidazole;oxalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methanol;2-methyl-1H-imidazole
CID 174899485
2-aminoacetic acid;2-methyl-1H-imidazole
CID 126510094
sodium;2-methyl-1H-imidazole;chloride
CID 174938695
acetyl acetate;2-methyl-1H-imidazole
CID 174834848
azonous acid;tetrakis(2-methyl-1H-imidazole);nickel
CID 5255487
formamide;2-methyl-1H-imidazole
CID 172691606
2-imidazol-1-ylacetic acid;2-methyl-1H-imidazole
CID 174695765
2-methyl-1H-imidazole;propane-1-sulfonic acid
CID 174610339
cobalt;bis(2-methyl-1H-imidazole);4-[2-(4-oxopentan-2-ylideneamino)ethylimino]pentan-2-one;bromide
CID 10482007
2-(deuteriomethyl)-1H-imidazole
CID 164899260
2-(trideuteriomethyl)-1H-imidazole
CID 13001457
CID 172694720
CID 172694720

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-imidazole;oxalic acid?
The IUPAC name of 2-methyl-1H-imidazole;oxalic acid (CID 71442090) is 2-methyl-1H-imidazole;oxalic acid.
What is the SMILES notation for 2-methyl-1H-imidazole;oxalic acid?
The canonical SMILES for 2-methyl-1H-imidazole;oxalic acid is Cc1ncc[nH]1.O=C(O)C(=O)O.
What is the InChIKey of 2-methyl-1H-imidazole;oxalic acid?
The InChIKey is LODFEEOBTARACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.C2H2O4/c1-4-5-2-3-6-4;3-1(4)2(5)6/h2-3H,1H3,(H,5,6);(H,3,4)(H,5,6).
What are the key properties of 2-methyl-1H-imidazole;oxalic acid?
2-methyl-1H-imidazole;oxalic acid has a molecular weight of 172.14 g/mol, XLogP of -0.13, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-imidazole;oxalic acid is sourced from PubChem (CID 71442090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).