1-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]cyclobutane-1-carboxylic acid

C16H18N2O3 — CID 117461839

IUPAC1-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]cyclobutane-1-carboxylic acid
SMILESCc1cn(C)c(=O)n1-c1ccccc1C1(C(=O)O)CCC1
InChIInChI=1S/C16H18N2O3/c1-11-10-17(2)15(21)18(11)13-7-4-3-6-12(13)16(14(19)20)8-5-9-16/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,19,20)
InChIKeyNYQKYHHJLGYMBO-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.99
Rot. Bonds3

About 1-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]cyclobutane-1-carboxylic acid

1-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]cyclobutane-1-carboxylic acid (PubChem CID 117461839) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]cyclobutane-1-carboxylic acid
PubChem CID117461839
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]cyclobutane-1-carboxylic acid
SMILESCc1cn(C)c(=O)n1-c1ccccc1C1(C(=O)O)CCC1
InChIInChI=1S/C16H18N2O3/c1-11-10-17(2)15(21)18(11)13-7-4-3-6-12(13)16(14(19)20)8-5-9-16/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,19,20)
InChIKeyNYQKYHHJLGYMBO-UHFFFAOYSA-N
XLogP1.99
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]cyclobutane-1-carboxylic acid (CID 117461839) is 1-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]cyclobutane-1-carboxylic acid is Cc1cn(C)c(=O)n1-c1ccccc1C1(C(=O)O)CCC1.
What is the InChIKey of 1-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]cyclobutane-1-carboxylic acid?
The InChIKey is NYQKYHHJLGYMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-10-17(2)15(21)18(11)13-7-4-3-6-12(13)16(14(19)20)8-5-9-16/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,19,20).
What are the key properties of 1-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]cyclobutane-1-carboxylic acid?
1-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]cyclobutane-1-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117461839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).