5-(2-methoxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylic acid

C11H18N2O3 — CID 67476922

IUPAC5-(2-methoxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylic acid
SMILESCCCc1nc(C(=O)O)c(C(C)(C)OC)[nH]1
InChIInChI=1S/C11H18N2O3/c1-5-6-7-12-8(10(14)15)9(13-7)11(2,3)16-4/h5-6H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyHZFGARLCRBGEMY-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.94
Rot. Bonds5

About 5-(2-methoxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylic acid

5-(2-methoxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylic acid (PubChem CID 67476922) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-(2-methoxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylic acid
PubChem CID67476922
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name5-(2-methoxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylic acid
SMILESCCCc1nc(C(=O)O)c(C(C)(C)OC)[nH]1
InChIInChI=1S/C11H18N2O3/c1-5-6-7-12-8(10(14)15)9(13-7)11(2,3)16-4/h5-6H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyHZFGARLCRBGEMY-UHFFFAOYSA-N
XLogP1.94
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(hydroxymethyl)-2-propyl-1H-imidazole-4-carboxylic acid
CID 172824911
ethyl 5-[(2S)-2-hydroxybutan-2-yl]-2-propyl-1H-imidazole-4-carboxylate
CID 86313321
pentanoyl 5-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylate
CID 174359749
2-(2-ethoxybutyl)-5-(2-hydroxypropan-2-yl)-1H-imidazole-4-carboxylic acid
CID 57066107
2-butyl-1H-imidazole-4,5-dicarboxylic acid
CID 19036100
1-(5-ethyl-2-propyl-1H-imidazol-4-yl)ethanone
CID 22574990
2-hexyl-5-methyl-1H-imidazole-4-carboxylic acid
CID 167093860
diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate;hydrochloride
CID 67024452
5-ethyl-N,N-dimethyl-2-propyl-1H-imidazole-4-carboxamide
CID 139962300
6-oxo-2-propyl-1H-pyrimidine-4-carboxylic acid
CID 135741778
4-methylsulfanyl-2-propyl-1H-imidazole-5-carboxylic acid
CID 18973592
2-iodo-5-propyl-1H-imidazole-4-carboxylic acid
CID 22025962

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylic acid?
The IUPAC name of 5-(2-methoxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylic acid (CID 67476922) is 5-(2-methoxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-methoxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 5-(2-methoxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylic acid is CCCc1nc(C(=O)O)c(C(C)(C)OC)[nH]1.
What is the InChIKey of 5-(2-methoxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylic acid?
The InChIKey is HZFGARLCRBGEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-5-6-7-12-8(10(14)15)9(13-7)11(2,3)16-4/h5-6H2,1-4H3,(H,12,13)(H,14,15).
What are the key properties of 5-(2-methoxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylic acid?
5-(2-methoxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 67476922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).