2-benzhydryl-1H-imidazol-1-ium chloride

C16H15ClN2 — CID 135052267

IUPAC2-benzhydryl-1H-imidazol-1-ium chloride
SMILESC1=C[NH2+]C(C(c2ccccc2)c2ccccc2)=N1.[Cl-]
InChIInChI=1S/C16H14N2.ClH/c1-3-7-13(8-4-1)15(16-17-11-12-18-16)14-9-5-2-6-10-14;/h1-12,15H,(H,17,18);1H
InChIKeySSJVFRKCVCVUMR-UHFFFAOYSA-N
MW270.76 g/mol
LogP-0.73
Rot. Bonds3

About 2-benzhydryl-1H-imidazol-1-ium chloride

2-benzhydryl-1H-imidazol-1-ium chloride (PubChem CID 135052267) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-benzhydryl-1H-imidazol-1-ium chloride.

Molecular Properties

Compound Name2-benzhydryl-1H-imidazol-1-ium chloride
PubChem CID135052267
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name2-benzhydryl-1H-imidazol-1-ium chloride
SMILESC1=C[NH2+]C(C(c2ccccc2)c2ccccc2)=N1.[Cl-]
InChIInChI=1S/C16H14N2.ClH/c1-3-7-13(8-4-1)15(16-17-11-12-18-16)14-9-5-2-6-10-14;/h1-12,15H,(H,17,18);1H
InChIKeySSJVFRKCVCVUMR-UHFFFAOYSA-N
XLogP-0.73
TPSA28.97 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-1H-imidazol-1-ium chloride?
The IUPAC name of 2-benzhydryl-1H-imidazol-1-ium chloride (CID 135052267) is 2-benzhydryl-1H-imidazol-1-ium chloride.
What is the SMILES notation for 2-benzhydryl-1H-imidazol-1-ium chloride?
The canonical SMILES for 2-benzhydryl-1H-imidazol-1-ium chloride is C1=C[NH2+]C(C(c2ccccc2)c2ccccc2)=N1.[Cl-].
What is the InChIKey of 2-benzhydryl-1H-imidazol-1-ium chloride?
The InChIKey is SSJVFRKCVCVUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2.ClH/c1-3-7-13(8-4-1)15(16-17-11-12-18-16)14-9-5-2-6-10-14;/h1-12,15H,(H,17,18);1H.
What are the key properties of 2-benzhydryl-1H-imidazol-1-ium chloride?
2-benzhydryl-1H-imidazol-1-ium chloride has a molecular weight of 270.76 g/mol, XLogP of -0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-1H-imidazol-1-ium chloride is sourced from PubChem (CID 135052267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).