1-[(4-bromophenyl)methyl]-3H-indol-2-imine;hydrochloride

C15H14BrClN2 — CID 155543899

IUPAC1-[(4-bromophenyl)methyl]-3H-indol-2-imine;hydrochloride
SMILESCl.[H]/N=C1\Cc2ccccc2N1Cc1ccc(Br)cc1
InChIInChI=1S/C15H13BrN2.ClH/c16-13-7-5-11(6-8-13)10-18-14-4-2-1-3-12(14)9-15(18)17;/h1-8,17H,9-10H2;1H/b17-15+;
InChIKeyHYJWGTHTCKYWTB-INTLEYBYSA-N
MW337.65 g/mol
LogP4.41
Rot. Bonds2

About 1-[(4-bromophenyl)methyl]-3H-indol-2-imine;hydrochloride

1-[(4-bromophenyl)methyl]-3H-indol-2-imine;hydrochloride (PubChem CID 155543899) has the molecular formula C15H14BrClN2 and a molecular weight of 337.65 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-3H-indol-2-imine;hydrochloride.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-3H-indol-2-imine;hydrochloride
PubChem CID155543899
Molecular FormulaC15H14BrClN2
Molecular Weight337.65 g/mol
Exact Mass336.00
IUPAC Name1-[(4-bromophenyl)methyl]-3H-indol-2-imine;hydrochloride
SMILESCl.[H]/N=C1\Cc2ccccc2N1Cc1ccc(Br)cc1
InChIInChI=1S/C15H13BrN2.ClH/c16-13-7-5-11(6-8-13)10-18-14-4-2-1-3-12(14)9-15(18)17;/h1-8,17H,9-10H2;1H/b17-15+;
InChIKeyHYJWGTHTCKYWTB-INTLEYBYSA-N
XLogP4.41
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.65
LogP ≤ 54.41
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-[(4-bromophenyl)methyl]-3H-indol-2-imine;hydrochloride?
The IUPAC name of 1-[(4-bromophenyl)methyl]-3H-indol-2-imine;hydrochloride (CID 155543899) is 1-[(4-bromophenyl)methyl]-3H-indol-2-imine;hydrochloride.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-3H-indol-2-imine;hydrochloride?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-3H-indol-2-imine;hydrochloride is Cl.[H]/N=C1\Cc2ccccc2N1Cc1ccc(Br)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-3H-indol-2-imine;hydrochloride?
The InChIKey is HYJWGTHTCKYWTB-INTLEYBYSA-N. The full InChI is InChI=1S/C15H13BrN2.ClH/c16-13-7-5-11(6-8-13)10-18-14-4-2-1-3-12(14)9-15(18)17;/h1-8,17H,9-10H2;1H/b17-15+;.
What are the key properties of 1-[(4-bromophenyl)methyl]-3H-indol-2-imine;hydrochloride?
1-[(4-bromophenyl)methyl]-3H-indol-2-imine;hydrochloride has a molecular weight of 337.65 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-3H-indol-2-imine;hydrochloride is sourced from PubChem (CID 155543899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).