1-benzyl-3H-indol-2-imine;hydrochloride

C15H15ClN2 — CID 155538519

IUPAC1-benzyl-3H-indol-2-imine;hydrochloride
SMILESCl.[H]/N=C1\Cc2ccccc2N1Cc1ccccc1
InChIInChI=1S/C15H14N2.ClH/c16-15-10-13-8-4-5-9-14(13)17(15)11-12-6-2-1-3-7-12;/h1-9,16H,10-11H2;1H/b16-15+;
InChIKeyRPGZDZCGIUMHGG-GEEYTBSJSA-N
MW258.75 g/mol
LogP3.65
Rot. Bonds2

About 1-benzyl-3H-indol-2-imine;hydrochloride

1-benzyl-3H-indol-2-imine;hydrochloride (PubChem CID 155538519) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 1-benzyl-3H-indol-2-imine;hydrochloride.

Molecular Properties

Compound Name1-benzyl-3H-indol-2-imine;hydrochloride
PubChem CID155538519
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name1-benzyl-3H-indol-2-imine;hydrochloride
SMILESCl.[H]/N=C1\Cc2ccccc2N1Cc1ccccc1
InChIInChI=1S/C15H14N2.ClH/c16-15-10-13-8-4-5-9-14(13)17(15)11-12-6-2-1-3-7-12;/h1-9,16H,10-11H2;1H/b16-15+;
InChIKeyRPGZDZCGIUMHGG-GEEYTBSJSA-N
XLogP3.65
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3H-indol-2-imine;hydrochloride?
The IUPAC name of 1-benzyl-3H-indol-2-imine;hydrochloride (CID 155538519) is 1-benzyl-3H-indol-2-imine;hydrochloride.
What is the SMILES notation for 1-benzyl-3H-indol-2-imine;hydrochloride?
The canonical SMILES for 1-benzyl-3H-indol-2-imine;hydrochloride is Cl.[H]/N=C1\Cc2ccccc2N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3H-indol-2-imine;hydrochloride?
The InChIKey is RPGZDZCGIUMHGG-GEEYTBSJSA-N. The full InChI is InChI=1S/C15H14N2.ClH/c16-15-10-13-8-4-5-9-14(13)17(15)11-12-6-2-1-3-7-12;/h1-9,16H,10-11H2;1H/b16-15+;.
What are the key properties of 1-benzyl-3H-indol-2-imine;hydrochloride?
1-benzyl-3H-indol-2-imine;hydrochloride has a molecular weight of 258.75 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3H-indol-2-imine;hydrochloride is sourced from PubChem (CID 155538519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).