4-hydroxybenzoic acid;1H-imidazole

C10H10N2O3 — CID 69434153

IUPAC4-hydroxybenzoic acid;1H-imidazole
SMILESO=C(O)c1ccc(O)cc1.c1c[nH]cn1
InChIInChI=1S/C7H6O3.C3H4N2/c8-6-3-1-5(2-4-6)7(9)10;1-2-5-3-4-1/h1-4,8H,(H,9,10);1-3H,(H,4,5)
InChIKeyWLHMGMARDRLVCS-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.50
Rot. Bonds1

About 4-hydroxybenzoic acid;1H-imidazole

4-hydroxybenzoic acid;1H-imidazole (PubChem CID 69434153) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 4-hydroxybenzoic acid;1H-imidazole.

Molecular Properties

Compound Name4-hydroxybenzoic acid;1H-imidazole
PubChem CID69434153
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name4-hydroxybenzoic acid;1H-imidazole
SMILESO=C(O)c1ccc(O)cc1.c1c[nH]cn1
InChIInChI=1S/C7H6O3.C3H4N2/c8-6-3-1-5(2-4-6)7(9)10;1-2-5-3-4-1/h1-4,8H,(H,9,10);1-3H,(H,4,5)
InChIKeyWLHMGMARDRLVCS-UHFFFAOYSA-N
XLogP1.50
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxybenzoic acid;1H-imidazole?
The IUPAC name of 4-hydroxybenzoic acid;1H-imidazole (CID 69434153) is 4-hydroxybenzoic acid;1H-imidazole.
What is the SMILES notation for 4-hydroxybenzoic acid;1H-imidazole?
The canonical SMILES for 4-hydroxybenzoic acid;1H-imidazole is O=C(O)c1ccc(O)cc1.c1c[nH]cn1.
What is the InChIKey of 4-hydroxybenzoic acid;1H-imidazole?
The InChIKey is WLHMGMARDRLVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.C3H4N2/c8-6-3-1-5(2-4-6)7(9)10;1-2-5-3-4-1/h1-4,8H,(H,9,10);1-3H,(H,4,5).
What are the key properties of 4-hydroxybenzoic acid;1H-imidazole?
4-hydroxybenzoic acid;1H-imidazole has a molecular weight of 206.20 g/mol, XLogP of 1.50, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybenzoic acid;1H-imidazole is sourced from PubChem (CID 69434153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).