2-(2-methylpropyl)imidazole-1-carboxylic acid

C8H12N2O2 — CID 67403118

IUPAC2-(2-methylpropyl)imidazole-1-carboxylic acid
SMILESCC(C)Cc1nccn1C(=O)O
InChIInChI=1S/C8H12N2O2/c1-6(2)5-7-9-3-4-10(7)8(11)12/h3-4,6H,5H2,1-2H3,(H,11,12)
InChIKeyLHCARCVMZOVBKA-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.61
Rot. Bonds2

About 2-(2-methylpropyl)imidazole-1-carboxylic acid

2-(2-methylpropyl)imidazole-1-carboxylic acid (PubChem CID 67403118) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(2-methylpropyl)imidazole-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpropyl)imidazole-1-carboxylic acid
PubChem CID67403118
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-(2-methylpropyl)imidazole-1-carboxylic acid
SMILESCC(C)Cc1nccn1C(=O)O
InChIInChI=1S/C8H12N2O2/c1-6(2)5-7-9-3-4-10(7)8(11)12/h3-4,6H,5H2,1-2H3,(H,11,12)
InChIKeyLHCARCVMZOVBKA-UHFFFAOYSA-N
XLogP1.61
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)imidazole-1-carboxylic acid?
The IUPAC name of 2-(2-methylpropyl)imidazole-1-carboxylic acid (CID 67403118) is 2-(2-methylpropyl)imidazole-1-carboxylic acid.
What is the SMILES notation for 2-(2-methylpropyl)imidazole-1-carboxylic acid?
The canonical SMILES for 2-(2-methylpropyl)imidazole-1-carboxylic acid is CC(C)Cc1nccn1C(=O)O.
What is the InChIKey of 2-(2-methylpropyl)imidazole-1-carboxylic acid?
The InChIKey is LHCARCVMZOVBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6(2)5-7-9-3-4-10(7)8(11)12/h3-4,6H,5H2,1-2H3,(H,11,12).
What are the key properties of 2-(2-methylpropyl)imidazole-1-carboxylic acid?
2-(2-methylpropyl)imidazole-1-carboxylic acid has a molecular weight of 168.20 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)imidazole-1-carboxylic acid is sourced from PubChem (CID 67403118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).