benzoic acid;1H-imidazole

C10H10N2O2 — CID 69405126

IUPACbenzoic acid;1H-imidazole
SMILESO=C(O)c1ccccc1.c1c[nH]cn1
InChIInChI=1S/C7H6O2.C3H4N2/c8-7(9)6-4-2-1-3-5-6;1-2-5-3-4-1/h1-5H,(H,8,9);1-3H,(H,4,5)
InChIKeyGHTDJAAAAJNCLS-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.79
Rot. Bonds1

About benzoic acid;1H-imidazole

benzoic acid;1H-imidazole (PubChem CID 69405126) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is benzoic acid;1H-imidazole.

Molecular Properties

Compound Namebenzoic acid;1H-imidazole
PubChem CID69405126
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Namebenzoic acid;1H-imidazole
SMILESO=C(O)c1ccccc1.c1c[nH]cn1
InChIInChI=1S/C7H6O2.C3H4N2/c8-7(9)6-4-2-1-3-5-6;1-2-5-3-4-1/h1-5H,(H,8,9);1-3H,(H,4,5)
InChIKeyGHTDJAAAAJNCLS-UHFFFAOYSA-N
XLogP1.79
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze benzoic acid;1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzoic acid;1H-imidazole?
The IUPAC name of benzoic acid;1H-imidazole (CID 69405126) is benzoic acid;1H-imidazole.
What is the SMILES notation for benzoic acid;1H-imidazole?
The canonical SMILES for benzoic acid;1H-imidazole is O=C(O)c1ccccc1.c1c[nH]cn1.
What is the InChIKey of benzoic acid;1H-imidazole?
The InChIKey is GHTDJAAAAJNCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.C3H4N2/c8-7(9)6-4-2-1-3-5-6;1-2-5-3-4-1/h1-5H,(H,8,9);1-3H,(H,4,5).
What are the key properties of benzoic acid;1H-imidazole?
benzoic acid;1H-imidazole has a molecular weight of 190.20 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;1H-imidazole is sourced from PubChem (CID 69405126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).