2-(4,5-dihydroimidazol-1-yl)-6-methylbenzoic acid

C11H12N2O2 — CID 67903944

IUPAC2-(4,5-dihydroimidazol-1-yl)-6-methylbenzoic acid
SMILESCc1cccc(N2C=NCC2)c1C(=O)O
InChIInChI=1S/C11H12N2O2/c1-8-3-2-4-9(10(8)11(14)15)13-6-5-12-7-13/h2-4,7H,5-6H2,1H3,(H,14,15)
InChIKeyKQYSGNQAPPHWCA-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.54
Rot. Bonds2

About 2-(4,5-dihydroimidazol-1-yl)-6-methylbenzoic acid

2-(4,5-dihydroimidazol-1-yl)-6-methylbenzoic acid (PubChem CID 67903944) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(4,5-dihydroimidazol-1-yl)-6-methylbenzoic acid.

Molecular Properties

Compound Name2-(4,5-dihydroimidazol-1-yl)-6-methylbenzoic acid
PubChem CID67903944
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-(4,5-dihydroimidazol-1-yl)-6-methylbenzoic acid
SMILESCc1cccc(N2C=NCC2)c1C(=O)O
InChIInChI=1S/C11H12N2O2/c1-8-3-2-4-9(10(8)11(14)15)13-6-5-12-7-13/h2-4,7H,5-6H2,1H3,(H,14,15)
InChIKeyKQYSGNQAPPHWCA-UHFFFAOYSA-N
XLogP1.54
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydroimidazol-1-yl)-6-methylbenzoic acid?
The IUPAC name of 2-(4,5-dihydroimidazol-1-yl)-6-methylbenzoic acid (CID 67903944) is 2-(4,5-dihydroimidazol-1-yl)-6-methylbenzoic acid.
What is the SMILES notation for 2-(4,5-dihydroimidazol-1-yl)-6-methylbenzoic acid?
The canonical SMILES for 2-(4,5-dihydroimidazol-1-yl)-6-methylbenzoic acid is Cc1cccc(N2C=NCC2)c1C(=O)O.
What is the InChIKey of 2-(4,5-dihydroimidazol-1-yl)-6-methylbenzoic acid?
The InChIKey is KQYSGNQAPPHWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8-3-2-4-9(10(8)11(14)15)13-6-5-12-7-13/h2-4,7H,5-6H2,1H3,(H,14,15).
What are the key properties of 2-(4,5-dihydroimidazol-1-yl)-6-methylbenzoic acid?
2-(4,5-dihydroimidazol-1-yl)-6-methylbenzoic acid has a molecular weight of 204.23 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydroimidazol-1-yl)-6-methylbenzoic acid is sourced from PubChem (CID 67903944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).