5-(2-methylpropyl)-4-propan-2-yl-1H-imidazole-2-carboxylic acid

C11H18N2O2 — CID 105464153

IUPAC5-(2-methylpropyl)-4-propan-2-yl-1H-imidazole-2-carboxylic acid
SMILESCC(C)Cc1[nH]c(C(=O)O)nc1C(C)C
InChIInChI=1S/C11H18N2O2/c1-6(2)5-8-9(7(3)4)13-10(12-8)11(14)15/h6-7H,5H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyXMNPCWOTMHYZTK-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.43
Rot. Bonds4

About 5-(2-methylpropyl)-4-propan-2-yl-1H-imidazole-2-carboxylic acid

5-(2-methylpropyl)-4-propan-2-yl-1H-imidazole-2-carboxylic acid (PubChem CID 105464153) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-(2-methylpropyl)-4-propan-2-yl-1H-imidazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylpropyl)-4-propan-2-yl-1H-imidazole-2-carboxylic acid
PubChem CID105464153
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name5-(2-methylpropyl)-4-propan-2-yl-1H-imidazole-2-carboxylic acid
SMILESCC(C)Cc1[nH]c(C(=O)O)nc1C(C)C
InChIInChI=1S/C11H18N2O2/c1-6(2)5-8-9(7(3)4)13-10(12-8)11(14)15/h6-7H,5H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyXMNPCWOTMHYZTK-UHFFFAOYSA-N
XLogP2.43
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-4-propan-2-yl-1H-imidazole-2-carboxylic acid?
The IUPAC name of 5-(2-methylpropyl)-4-propan-2-yl-1H-imidazole-2-carboxylic acid (CID 105464153) is 5-(2-methylpropyl)-4-propan-2-yl-1H-imidazole-2-carboxylic acid.
What is the SMILES notation for 5-(2-methylpropyl)-4-propan-2-yl-1H-imidazole-2-carboxylic acid?
The canonical SMILES for 5-(2-methylpropyl)-4-propan-2-yl-1H-imidazole-2-carboxylic acid is CC(C)Cc1[nH]c(C(=O)O)nc1C(C)C.
What is the InChIKey of 5-(2-methylpropyl)-4-propan-2-yl-1H-imidazole-2-carboxylic acid?
The InChIKey is XMNPCWOTMHYZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-6(2)5-8-9(7(3)4)13-10(12-8)11(14)15/h6-7H,5H2,1-4H3,(H,12,13)(H,14,15).
What are the key properties of 5-(2-methylpropyl)-4-propan-2-yl-1H-imidazole-2-carboxylic acid?
5-(2-methylpropyl)-4-propan-2-yl-1H-imidazole-2-carboxylic acid has a molecular weight of 210.28 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-4-propan-2-yl-1H-imidazole-2-carboxylic acid is sourced from PubChem (CID 105464153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).