2-hydroxybenzoic acid;2-methyl-1H-imidazole

C11H12N2O3 — CID 67764725

IUPAC2-hydroxybenzoic acid;2-methyl-1H-imidazole
SMILESCc1ncc[nH]1.O=C(O)c1ccccc1O
InChIInChI=1S/C7H6O3.C4H6N2/c8-6-4-2-1-3-5(6)7(9)10;1-4-5-2-3-6-4/h1-4,8H,(H,9,10);2-3H,1H3,(H,5,6)
InChIKeyCRCMWCLXXPGFJB-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.81
Rot. Bonds1

About 2-hydroxybenzoic acid;2-methyl-1H-imidazole

2-hydroxybenzoic acid;2-methyl-1H-imidazole (PubChem CID 67764725) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-hydroxybenzoic acid;2-methyl-1H-imidazole.

Molecular Properties

Compound Name2-hydroxybenzoic acid;2-methyl-1H-imidazole
PubChem CID67764725
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-hydroxybenzoic acid;2-methyl-1H-imidazole
SMILESCc1ncc[nH]1.O=C(O)c1ccccc1O
InChIInChI=1S/C7H6O3.C4H6N2/c8-6-4-2-1-3-5(6)7(9)10;1-4-5-2-3-6-4/h1-4,8H,(H,9,10);2-3H,1H3,(H,5,6)
InChIKeyCRCMWCLXXPGFJB-UHFFFAOYSA-N
XLogP1.81
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzoic acid;2-methyl-1H-imidazole?
The IUPAC name of 2-hydroxybenzoic acid;2-methyl-1H-imidazole (CID 67764725) is 2-hydroxybenzoic acid;2-methyl-1H-imidazole.
What is the SMILES notation for 2-hydroxybenzoic acid;2-methyl-1H-imidazole?
The canonical SMILES for 2-hydroxybenzoic acid;2-methyl-1H-imidazole is Cc1ncc[nH]1.O=C(O)c1ccccc1O.
What is the InChIKey of 2-hydroxybenzoic acid;2-methyl-1H-imidazole?
The InChIKey is CRCMWCLXXPGFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.C4H6N2/c8-6-4-2-1-3-5(6)7(9)10;1-4-5-2-3-6-4/h1-4,8H,(H,9,10);2-3H,1H3,(H,5,6).
What are the key properties of 2-hydroxybenzoic acid;2-methyl-1H-imidazole?
2-hydroxybenzoic acid;2-methyl-1H-imidazole has a molecular weight of 220.23 g/mol, XLogP of 1.81, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzoic acid;2-methyl-1H-imidazole is sourced from PubChem (CID 67764725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).