2-[4-(5-tert-butyl-2-methylphenyl)imidazol-1-yl]acetic acid

C16H20N2O2 — CID 82306448

IUPAC2-[4-(5-tert-butyl-2-methylphenyl)imidazol-1-yl]acetic acid
SMILESCc1ccc(C(C)(C)C)cc1-c1cn(CC(=O)O)cn1
InChIInChI=1S/C16H20N2O2/c1-11-5-6-12(16(2,3)4)7-13(11)14-8-18(10-17-14)9-15(19)20/h5-8,10H,9H2,1-4H3,(H,19,20)
InChIKeyXHONLYPTTMZQID-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.24
Rot. Bonds3

About 2-[4-(5-tert-butyl-2-methylphenyl)imidazol-1-yl]acetic acid

2-[4-(5-tert-butyl-2-methylphenyl)imidazol-1-yl]acetic acid (PubChem CID 82306448) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[4-(5-tert-butyl-2-methylphenyl)imidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(5-tert-butyl-2-methylphenyl)imidazol-1-yl]acetic acid
PubChem CID82306448
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[4-(5-tert-butyl-2-methylphenyl)imidazol-1-yl]acetic acid
SMILESCc1ccc(C(C)(C)C)cc1-c1cn(CC(=O)O)cn1
InChIInChI=1S/C16H20N2O2/c1-11-5-6-12(16(2,3)4)7-13(11)14-8-18(10-17-14)9-15(19)20/h5-8,10H,9H2,1-4H3,(H,19,20)
InChIKeyXHONLYPTTMZQID-UHFFFAOYSA-N
XLogP3.24
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-tert-butyl-2-methylphenyl)imidazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(5-tert-butyl-2-methylphenyl)imidazol-1-yl]acetic acid (CID 82306448) is 2-[4-(5-tert-butyl-2-methylphenyl)imidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(5-tert-butyl-2-methylphenyl)imidazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(5-tert-butyl-2-methylphenyl)imidazol-1-yl]acetic acid is Cc1ccc(C(C)(C)C)cc1-c1cn(CC(=O)O)cn1.
What is the InChIKey of 2-[4-(5-tert-butyl-2-methylphenyl)imidazol-1-yl]acetic acid?
The InChIKey is XHONLYPTTMZQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-5-6-12(16(2,3)4)7-13(11)14-8-18(10-17-14)9-15(19)20/h5-8,10H,9H2,1-4H3,(H,19,20).
What are the key properties of 2-[4-(5-tert-butyl-2-methylphenyl)imidazol-1-yl]acetic acid?
2-[4-(5-tert-butyl-2-methylphenyl)imidazol-1-yl]acetic acid has a molecular weight of 272.35 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-tert-butyl-2-methylphenyl)imidazol-1-yl]acetic acid is sourced from PubChem (CID 82306448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).