4-imidazol-1-yl-3-methylbenzoic acid

C11H10N2O2 — CID 62121315

IUPAC4-imidazol-1-yl-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1-n1ccnc1
InChIInChI=1S/C11H10N2O2/c1-8-6-9(11(14)15)2-3-10(8)13-5-4-12-7-13/h2-7H,1H3,(H,14,15)
InChIKeyWXWHCDWFCZWDBS-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.88
Rot. Bonds2

About 4-imidazol-1-yl-3-methylbenzoic acid

4-imidazol-1-yl-3-methylbenzoic acid (PubChem CID 62121315) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-imidazol-1-yl-3-methylbenzoic acid.

Molecular Properties

Compound Name4-imidazol-1-yl-3-methylbenzoic acid
PubChem CID62121315
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name4-imidazol-1-yl-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1-n1ccnc1
InChIInChI=1S/C11H10N2O2/c1-8-6-9(11(14)15)2-3-10(8)13-5-4-12-7-13/h2-7H,1H3,(H,14,15)
InChIKeyWXWHCDWFCZWDBS-UHFFFAOYSA-N
XLogP1.88
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-3-methylbenzoic acid?
The IUPAC name of 4-imidazol-1-yl-3-methylbenzoic acid (CID 62121315) is 4-imidazol-1-yl-3-methylbenzoic acid.
What is the SMILES notation for 4-imidazol-1-yl-3-methylbenzoic acid?
The canonical SMILES for 4-imidazol-1-yl-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1-n1ccnc1.
What is the InChIKey of 4-imidazol-1-yl-3-methylbenzoic acid?
The InChIKey is WXWHCDWFCZWDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-8-6-9(11(14)15)2-3-10(8)13-5-4-12-7-13/h2-7H,1H3,(H,14,15).
What are the key properties of 4-imidazol-1-yl-3-methylbenzoic acid?
4-imidazol-1-yl-3-methylbenzoic acid has a molecular weight of 202.21 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-3-methylbenzoic acid is sourced from PubChem (CID 62121315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).