2-tert-butyl-5-methoxy-2,4-dihydroimidazole-3-carboxylic acid

C9H16N2O3 — CID 67128058

IUPAC2-tert-butyl-5-methoxy-2,4-dihydroimidazole-3-carboxylic acid
SMILESCOC1=NC(C(C)(C)C)N(C(=O)O)C1
InChIInChI=1S/C9H16N2O3/c1-9(2,3)7-10-6(14-4)5-11(7)8(12)13/h7H,5H2,1-4H3,(H,12,13)
InChIKeyYSGMZCIJKSMQEN-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.40
Rot. Bonds

About 2-tert-butyl-5-methoxy-2,4-dihydroimidazole-3-carboxylic acid

2-tert-butyl-5-methoxy-2,4-dihydroimidazole-3-carboxylic acid (PubChem CID 67128058) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-tert-butyl-5-methoxy-2,4-dihydroimidazole-3-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-5-methoxy-2,4-dihydroimidazole-3-carboxylic acid
PubChem CID67128058
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-tert-butyl-5-methoxy-2,4-dihydroimidazole-3-carboxylic acid
SMILESCOC1=NC(C(C)(C)C)N(C(=O)O)C1
InChIInChI=1S/C9H16N2O3/c1-9(2,3)7-10-6(14-4)5-11(7)8(12)13/h7H,5H2,1-4H3,(H,12,13)
InChIKeyYSGMZCIJKSMQEN-UHFFFAOYSA-N
XLogP1.40
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methoxy-2,4-dihydroimidazole-3-carboxylic acid?
The IUPAC name of 2-tert-butyl-5-methoxy-2,4-dihydroimidazole-3-carboxylic acid (CID 67128058) is 2-tert-butyl-5-methoxy-2,4-dihydroimidazole-3-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-5-methoxy-2,4-dihydroimidazole-3-carboxylic acid?
The canonical SMILES for 2-tert-butyl-5-methoxy-2,4-dihydroimidazole-3-carboxylic acid is COC1=NC(C(C)(C)C)N(C(=O)O)C1.
What is the InChIKey of 2-tert-butyl-5-methoxy-2,4-dihydroimidazole-3-carboxylic acid?
The InChIKey is YSGMZCIJKSMQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-9(2,3)7-10-6(14-4)5-11(7)8(12)13/h7H,5H2,1-4H3,(H,12,13).
What are the key properties of 2-tert-butyl-5-methoxy-2,4-dihydroimidazole-3-carboxylic acid?
2-tert-butyl-5-methoxy-2,4-dihydroimidazole-3-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methoxy-2,4-dihydroimidazole-3-carboxylic acid is sourced from PubChem (CID 67128058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).