2-(2-methylimidazole-1-carbonyl)benzoic acid

C12H10N2O3 — CID 839867

IUPAC2-(2-methylimidazole-1-carbonyl)benzoic acid
SMILESCc1nccn1C(=O)c1ccccc1C(=O)O
InChIInChI=1S/C12H10N2O3/c1-8-13-6-7-14(8)11(15)9-4-2-3-5-10(9)12(16)17/h2-7H,1H3,(H,16,17)
InChIKeyNZNSEDVIXKALDG-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.58
Rot. Bonds2

About 2-(2-methylimidazole-1-carbonyl)benzoic acid

2-(2-methylimidazole-1-carbonyl)benzoic acid (PubChem CID 839867) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-(2-methylimidazole-1-carbonyl)benzoic acid.

Molecular Properties

Compound Name2-(2-methylimidazole-1-carbonyl)benzoic acid
PubChem CID839867
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name2-(2-methylimidazole-1-carbonyl)benzoic acid
SMILESCc1nccn1C(=O)c1ccccc1C(=O)O
InChIInChI=1S/C12H10N2O3/c1-8-13-6-7-14(8)11(15)9-4-2-3-5-10(9)12(16)17/h2-7H,1H3,(H,16,17)
InChIKeyNZNSEDVIXKALDG-UHFFFAOYSA-N
XLogP1.58
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazole-1-carbonyl)benzoic acid?
The IUPAC name of 2-(2-methylimidazole-1-carbonyl)benzoic acid (CID 839867) is 2-(2-methylimidazole-1-carbonyl)benzoic acid.
What is the SMILES notation for 2-(2-methylimidazole-1-carbonyl)benzoic acid?
The canonical SMILES for 2-(2-methylimidazole-1-carbonyl)benzoic acid is Cc1nccn1C(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-(2-methylimidazole-1-carbonyl)benzoic acid?
The InChIKey is NZNSEDVIXKALDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-8-13-6-7-14(8)11(15)9-4-2-3-5-10(9)12(16)17/h2-7H,1H3,(H,16,17).
What are the key properties of 2-(2-methylimidazole-1-carbonyl)benzoic acid?
2-(2-methylimidazole-1-carbonyl)benzoic acid has a molecular weight of 230.22 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazole-1-carbonyl)benzoic acid is sourced from PubChem (CID 839867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).