3-benzhydrylimidazole-4-carboxylic acid;hydrochloride

C17H15ClN2O2 — CID 70597369

IUPAC3-benzhydrylimidazole-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cncn1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H14N2O2.ClH/c20-17(21)15-11-18-12-19(15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;/h1-12,16H,(H,20,21);1H
InChIKeyZEYIMMBFINMJJW-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.64
Rot. Bonds4

About 3-benzhydrylimidazole-4-carboxylic acid;hydrochloride

3-benzhydrylimidazole-4-carboxylic acid;hydrochloride (PubChem CID 70597369) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 3-benzhydrylimidazole-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-benzhydrylimidazole-4-carboxylic acid;hydrochloride
PubChem CID70597369
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name3-benzhydrylimidazole-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cncn1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H14N2O2.ClH/c20-17(21)15-11-18-12-19(15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;/h1-12,16H,(H,20,21);1H
InChIKeyZEYIMMBFINMJJW-UHFFFAOYSA-N
XLogP3.64
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzhydrylimidazole-4-carboxylic acid;hydrochloride?
The IUPAC name of 3-benzhydrylimidazole-4-carboxylic acid;hydrochloride (CID 70597369) is 3-benzhydrylimidazole-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-benzhydrylimidazole-4-carboxylic acid;hydrochloride?
The canonical SMILES for 3-benzhydrylimidazole-4-carboxylic acid;hydrochloride is Cl.O=C(O)c1cncn1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-benzhydrylimidazole-4-carboxylic acid;hydrochloride?
The InChIKey is ZEYIMMBFINMJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2.ClH/c20-17(21)15-11-18-12-19(15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;/h1-12,16H,(H,20,21);1H.
What are the key properties of 3-benzhydrylimidazole-4-carboxylic acid;hydrochloride?
3-benzhydrylimidazole-4-carboxylic acid;hydrochloride has a molecular weight of 314.77 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydrylimidazole-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 70597369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).