1-[2,6-di(propan-2-yl)phenyl]imidazole-2-carboxylic acid

C16H20N2O2 — CID 69081563

IUPAC1-[2,6-di(propan-2-yl)phenyl]imidazole-2-carboxylic acid
SMILESCC(C)c1cccc(C(C)C)c1-n1ccnc1C(=O)O
InChIInChI=1S/C16H20N2O2/c1-10(2)12-6-5-7-13(11(3)4)14(12)18-9-8-17-15(18)16(19)20/h5-11H,1-4H3,(H,19,20)
InChIKeyZRIJWPJSFXRZSK-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.82
Rot. Bonds4

About 1-[2,6-di(propan-2-yl)phenyl]imidazole-2-carboxylic acid

1-[2,6-di(propan-2-yl)phenyl]imidazole-2-carboxylic acid (PubChem CID 69081563) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]imidazole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]imidazole-2-carboxylic acid
PubChem CID69081563
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]imidazole-2-carboxylic acid
SMILESCC(C)c1cccc(C(C)C)c1-n1ccnc1C(=O)O
InChIInChI=1S/C16H20N2O2/c1-10(2)12-6-5-7-13(11(3)4)14(12)18-9-8-17-15(18)16(19)20/h5-11H,1-4H3,(H,19,20)
InChIKeyZRIJWPJSFXRZSK-UHFFFAOYSA-N
XLogP3.82
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]imidazole-2-carboxylic acid?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]imidazole-2-carboxylic acid (CID 69081563) is 1-[2,6-di(propan-2-yl)phenyl]imidazole-2-carboxylic acid.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]imidazole-2-carboxylic acid?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]imidazole-2-carboxylic acid is CC(C)c1cccc(C(C)C)c1-n1ccnc1C(=O)O.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]imidazole-2-carboxylic acid?
The InChIKey is ZRIJWPJSFXRZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10(2)12-6-5-7-13(11(3)4)14(12)18-9-8-17-15(18)16(19)20/h5-11H,1-4H3,(H,19,20).
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]imidazole-2-carboxylic acid?
1-[2,6-di(propan-2-yl)phenyl]imidazole-2-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]imidazole-2-carboxylic acid is sourced from PubChem (CID 69081563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).