4-(5-methyl-1H-imidazol-2-yl)benzoic acid

C11H10N2O2 — CID 57290207

IUPAC4-(5-methyl-1H-imidazol-2-yl)benzoic acid
SMILESCc1cnc(-c2ccc(C(=O)O)cc2)[nH]1
InChIInChI=1S/C11H10N2O2/c1-7-6-12-10(13-7)8-2-4-9(5-3-8)11(14)15/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKeyBYIMTNIHELUHCZ-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.08
Rot. Bonds2

About 4-(5-methyl-1H-imidazol-2-yl)benzoic acid

4-(5-methyl-1H-imidazol-2-yl)benzoic acid (PubChem CID 57290207) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-(5-methyl-1H-imidazol-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(5-methyl-1H-imidazol-2-yl)benzoic acid
PubChem CID57290207
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name4-(5-methyl-1H-imidazol-2-yl)benzoic acid
SMILESCc1cnc(-c2ccc(C(=O)O)cc2)[nH]1
InChIInChI=1S/C11H10N2O2/c1-7-6-12-10(13-7)8-2-4-9(5-3-8)11(14)15/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKeyBYIMTNIHELUHCZ-UHFFFAOYSA-N
XLogP2.08
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 158355468
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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1H-imidazol-2-yl)benzoic acid?
The IUPAC name of 4-(5-methyl-1H-imidazol-2-yl)benzoic acid (CID 57290207) is 4-(5-methyl-1H-imidazol-2-yl)benzoic acid.
What is the SMILES notation for 4-(5-methyl-1H-imidazol-2-yl)benzoic acid?
The canonical SMILES for 4-(5-methyl-1H-imidazol-2-yl)benzoic acid is Cc1cnc(-c2ccc(C(=O)O)cc2)[nH]1.
What is the InChIKey of 4-(5-methyl-1H-imidazol-2-yl)benzoic acid?
The InChIKey is BYIMTNIHELUHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-7-6-12-10(13-7)8-2-4-9(5-3-8)11(14)15/h2-6H,1H3,(H,12,13)(H,14,15).
What are the key properties of 4-(5-methyl-1H-imidazol-2-yl)benzoic acid?
4-(5-methyl-1H-imidazol-2-yl)benzoic acid has a molecular weight of 202.21 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1H-imidazol-2-yl)benzoic acid is sourced from PubChem (CID 57290207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).