1-(3-bromophenyl)-N-(1H-indol-6-yl)methanimine

C15H11BrN2 — CID 19058683

IUPAC1-(3-bromophenyl)-N-(1H-indol-6-yl)methanimine
SMILESBrc1cccc(/C=N/c2ccc3cc[nH]c3c2)c1
InChIInChI=1S/C15H11BrN2/c16-13-3-1-2-11(8-13)10-18-14-5-4-12-6-7-17-15(12)9-14/h1-10,17H/b18-10+
InChIKeyLDESDNURYLAQGH-VCHYOVAHSA-N
MW299.17 g/mol
LogP4.68
Rot. Bonds2

About 1-(3-bromophenyl)-N-(1H-indol-6-yl)methanimine

1-(3-bromophenyl)-N-(1H-indol-6-yl)methanimine (PubChem CID 19058683) has the molecular formula C15H11BrN2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(1H-indol-6-yl)methanimine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(1H-indol-6-yl)methanimine
PubChem CID19058683
Molecular FormulaC15H11BrN2
Molecular Weight299.17 g/mol
Exact Mass298.01
IUPAC Name1-(3-bromophenyl)-N-(1H-indol-6-yl)methanimine
SMILESBrc1cccc(/C=N/c2ccc3cc[nH]c3c2)c1
InChIInChI=1S/C15H11BrN2/c16-13-3-1-2-11(8-13)10-18-14-5-4-12-6-7-17-15(12)9-14/h1-10,17H/b18-10+
InChIKeyLDESDNURYLAQGH-VCHYOVAHSA-N
XLogP4.68
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 54.68
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-(3-bromophenyl)-N-(1H-indol-6-yl)methanimine?
The IUPAC name of 1-(3-bromophenyl)-N-(1H-indol-6-yl)methanimine (CID 19058683) is 1-(3-bromophenyl)-N-(1H-indol-6-yl)methanimine.
What is the SMILES notation for 1-(3-bromophenyl)-N-(1H-indol-6-yl)methanimine?
The canonical SMILES for 1-(3-bromophenyl)-N-(1H-indol-6-yl)methanimine is Brc1cccc(/C=N/c2ccc3cc[nH]c3c2)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-(1H-indol-6-yl)methanimine?
The InChIKey is LDESDNURYLAQGH-VCHYOVAHSA-N. The full InChI is InChI=1S/C15H11BrN2/c16-13-3-1-2-11(8-13)10-18-14-5-4-12-6-7-17-15(12)9-14/h1-10,17H/b18-10+.
What are the key properties of 1-(3-bromophenyl)-N-(1H-indol-6-yl)methanimine?
1-(3-bromophenyl)-N-(1H-indol-6-yl)methanimine has a molecular weight of 299.17 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(1H-indol-6-yl)methanimine is sourced from PubChem (CID 19058683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).