2-methyl-4,5-dihydro-1H-imidazole-5-carboxylic acid

C5H8N2O2 — CID 15020018

IUPAC2-methyl-4,5-dihydro-1H-imidazole-5-carboxylic acid
SMILESCC1=NCC(C(=O)O)N1
InChIInChI=1S/C5H8N2O2/c1-3-6-2-4(7-3)5(8)9/h4H,2H2,1H3,(H,6,7)(H,8,9)
InChIKeyDKAYTUYQCBZFDF-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.54
Rot. Bonds1

About 2-methyl-4,5-dihydro-1H-imidazole-5-carboxylic acid

2-methyl-4,5-dihydro-1H-imidazole-5-carboxylic acid (PubChem CID 15020018) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 2-methyl-4,5-dihydro-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4,5-dihydro-1H-imidazole-5-carboxylic acid
PubChem CID15020018
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name2-methyl-4,5-dihydro-1H-imidazole-5-carboxylic acid
SMILESCC1=NCC(C(=O)O)N1
InChIInChI=1S/C5H8N2O2/c1-3-6-2-4(7-3)5(8)9/h4H,2H2,1H3,(H,6,7)(H,8,9)
InChIKeyDKAYTUYQCBZFDF-UHFFFAOYSA-N
XLogP-0.54
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-dihydro-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-methyl-4,5-dihydro-1H-imidazole-5-carboxylic acid (CID 15020018) is 2-methyl-4,5-dihydro-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-methyl-4,5-dihydro-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-methyl-4,5-dihydro-1H-imidazole-5-carboxylic acid is CC1=NCC(C(=O)O)N1.
What is the InChIKey of 2-methyl-4,5-dihydro-1H-imidazole-5-carboxylic acid?
The InChIKey is DKAYTUYQCBZFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-3-6-2-4(7-3)5(8)9/h4H,2H2,1H3,(H,6,7)(H,8,9).
What are the key properties of 2-methyl-4,5-dihydro-1H-imidazole-5-carboxylic acid?
2-methyl-4,5-dihydro-1H-imidazole-5-carboxylic acid has a molecular weight of 128.13 g/mol, XLogP of -0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-dihydro-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 15020018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).