4-(2-amino-1H-imidazol-5-yl)benzoic acid;hydrochloride

C10H10ClN3O2 — CID 69483664

IUPAC4-(2-amino-1H-imidazol-5-yl)benzoic acid;hydrochloride
SMILESCl.Nc1ncc(-c2ccc(C(=O)O)cc2)[nH]1
InChIInChI=1S/C10H9N3O2.ClH/c11-10-12-5-8(13-10)6-1-3-7(4-2-6)9(14)15;/h1-5H,(H,14,15)(H3,11,12,13);1H
InChIKeyHDKAMOASXUHZPD-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.78
Rot. Bonds2

About 4-(2-amino-1H-imidazol-5-yl)benzoic acid;hydrochloride

4-(2-amino-1H-imidazol-5-yl)benzoic acid;hydrochloride (PubChem CID 69483664) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is 4-(2-amino-1H-imidazol-5-yl)benzoic acid;hydrochloride.

Molecular Properties

Compound Name4-(2-amino-1H-imidazol-5-yl)benzoic acid;hydrochloride
PubChem CID69483664
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name4-(2-amino-1H-imidazol-5-yl)benzoic acid;hydrochloride
SMILESCl.Nc1ncc(-c2ccc(C(=O)O)cc2)[nH]1
InChIInChI=1S/C10H9N3O2.ClH/c11-10-12-5-8(13-10)6-1-3-7(4-2-6)9(14)15;/h1-5H,(H,14,15)(H3,11,12,13);1H
InChIKeyHDKAMOASXUHZPD-UHFFFAOYSA-N
XLogP1.78
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1H-imidazol-5-yl)benzoic acid;hydrochloride?
The IUPAC name of 4-(2-amino-1H-imidazol-5-yl)benzoic acid;hydrochloride (CID 69483664) is 4-(2-amino-1H-imidazol-5-yl)benzoic acid;hydrochloride.
What is the SMILES notation for 4-(2-amino-1H-imidazol-5-yl)benzoic acid;hydrochloride?
The canonical SMILES for 4-(2-amino-1H-imidazol-5-yl)benzoic acid;hydrochloride is Cl.Nc1ncc(-c2ccc(C(=O)O)cc2)[nH]1.
What is the InChIKey of 4-(2-amino-1H-imidazol-5-yl)benzoic acid;hydrochloride?
The InChIKey is HDKAMOASXUHZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2.ClH/c11-10-12-5-8(13-10)6-1-3-7(4-2-6)9(14)15;/h1-5H,(H,14,15)(H3,11,12,13);1H.
What are the key properties of 4-(2-amino-1H-imidazol-5-yl)benzoic acid;hydrochloride?
4-(2-amino-1H-imidazol-5-yl)benzoic acid;hydrochloride has a molecular weight of 239.66 g/mol, XLogP of 1.78, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1H-imidazol-5-yl)benzoic acid;hydrochloride is sourced from PubChem (CID 69483664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).