4,5-dimethyl-2-propylimidazole-1-carboxylic acid

C9H14N2O2 — CID 69324891

IUPAC4,5-dimethyl-2-propylimidazole-1-carboxylic acid
SMILESCCCc1nc(C)c(C)n1C(=O)O
InChIInChI=1S/C9H14N2O2/c1-4-5-8-10-6(2)7(3)11(8)9(12)13/h4-5H2,1-3H3,(H,12,13)
InChIKeyJMVRLSIOFSGLRE-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.98
Rot. Bonds2

About 4,5-dimethyl-2-propylimidazole-1-carboxylic acid

4,5-dimethyl-2-propylimidazole-1-carboxylic acid (PubChem CID 69324891) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4,5-dimethyl-2-propylimidazole-1-carboxylic acid.

Molecular Properties

Compound Name4,5-dimethyl-2-propylimidazole-1-carboxylic acid
PubChem CID69324891
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4,5-dimethyl-2-propylimidazole-1-carboxylic acid
SMILESCCCc1nc(C)c(C)n1C(=O)O
InChIInChI=1S/C9H14N2O2/c1-4-5-8-10-6(2)7(3)11(8)9(12)13/h4-5H2,1-3H3,(H,12,13)
InChIKeyJMVRLSIOFSGLRE-UHFFFAOYSA-N
XLogP1.98
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,5-Trimethylimidazole-1-carboxamide
CID 22165649
Methyl 4,5-dicyano-2-methylimidazole-1-carboxylate
CID 23343419
1-(2,4,5-Trimethyl-1H-imidazol-1-yl)ethanone
CID 45085931
4-Amino-2,5-dimethylimidazole-1-carboxylic acid
CID 58435667
2-Amino-4,5-dimethylimidazole-1-carboxylic acid
CID 58435689
5-Amino-2,4-dimethylimidazole-1-carboxylic acid
CID 58435704
Methyl 2,4,5-trimethylimidazole-1-carboxylate
CID 59932873
1,2,3,4,5-Pentamethylimidazol-1-ium acetate
CID 89154304
(2S)-2-[1-[2-(dimethylamino)ethyl]-4,5-dimethylimidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 129096060
2-[1-[2-(Dimethylamino)ethyl]-4,5-dimethylimidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 129096061
Bis(2,4,5-trimethylimidazol-1-yl)methanone
CID 147288953
4-(Dimethylamino)-2,5-dimethylimidazole-1-carbaldehyde
CID 149656645

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-propylimidazole-1-carboxylic acid?
The IUPAC name of 4,5-dimethyl-2-propylimidazole-1-carboxylic acid (CID 69324891) is 4,5-dimethyl-2-propylimidazole-1-carboxylic acid.
What is the SMILES notation for 4,5-dimethyl-2-propylimidazole-1-carboxylic acid?
The canonical SMILES for 4,5-dimethyl-2-propylimidazole-1-carboxylic acid is CCCc1nc(C)c(C)n1C(=O)O.
What is the InChIKey of 4,5-dimethyl-2-propylimidazole-1-carboxylic acid?
The InChIKey is JMVRLSIOFSGLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-5-8-10-6(2)7(3)11(8)9(12)13/h4-5H2,1-3H3,(H,12,13).
What are the key properties of 4,5-dimethyl-2-propylimidazole-1-carboxylic acid?
4,5-dimethyl-2-propylimidazole-1-carboxylic acid has a molecular weight of 182.22 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-propylimidazole-1-carboxylic acid is sourced from PubChem (CID 69324891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).